Cas no 976-50-1 (4-Amino-N-[3,5-bis(trifluoromethyl)phenyl]benzamide)
![4-Amino-N-[3,5-bis(trifluoromethyl)phenyl]benzamide structure](https://ossimg.kuujia.com/scimg/1000/976-50-1x500.png)
976-50-1 structure
Product Name:4-Amino-N-[3,5-bis(trifluoromethyl)phenyl]benzamide
CAS No:976-50-1
MF:C15H10F6N2O
MW:348.243124485016
CID:40435
PubChem ID:53416592
Update Time:2025-04-19
4-Amino-N-[3,5-bis(trifluoromethyl)phenyl]benzamide Chemical and Physical Properties
Names and Identifiers
-
- 4-Amino-N-[3,5-bis(trifluoromethyl)phenyl]benzamide
- FT-0736857
- 976-50-1
- DTXSID40697195
- AKOS025125962
- DB-080470
-
- Inchi： 1S/C15H10F6N2O/c16-14(17,18)9-5-10(15(19,20)21)7-12(6-9)23-13(24)8-1-3-11(22)4-2-8/h1-7H,22H2,(H,23,24)
- InChI Key： LAEHQNIAYGYBHY-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(F)(F)F)C=C(C=1)NC(C1C=CC(=CC=1)N)=O)(F)F
Computed Properties
- Exact Mass: 348.07000
- Monoisotopic Mass: 348.07
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 420
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.7
- Topological Polar Surface Area: 55.1A^2
Experimental Properties
- Density: 1.465
- PSA: 55.12000
- LogP: 5.21290
4-Amino-N-[3,5-bis(trifluoromethyl)phenyl]benzamide Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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