Cas no 2585-25-3 (Benzamide,N-(2-methylpropyl)-4-nitro-)
2585-25-3 structure
Product Name:Benzamide,N-(2-methylpropyl)-4-nitro-
CAS No:2585-25-3
MF:C11H14N2O3
MW:222.240462779999
CID:281950
PubChem ID:347930
Update Time:2025-04-19
Benzamide,N-(2-methylpropyl)-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,N-(2-methylpropyl)-4-nitro-
- N-(2-methylpropyl)-4-nitrobenzamide
- N-Isobutyl-4-nitrobenzamide
- DTXSID80324498
- NSC 406855
- N-isobutyl-p-nitro-benzamide
- AKOS003245629
- Oprea1_662559
- AG-690/11634020
- Oprea1_389410
- 2585-25-3
- NSC-406855
- DPXAUDVSHNKGLR-UHFFFAOYSA-N
- SCHEMBL5940592
- NSC406855
- 4-nitro-N-(2-methylpropyl)benzamide
-
- Inchi： 1S/C11H14N2O3/c1-8(2)7-12-11(14)9-3-5-10(6-4-9)13(15)16/h3-6,8H,7H2,1-2H3,(H,12,14)
- InChI Key： DPXAUDVSHNKGLR-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=CC=1)[N+](=O)[O-])NCC(C)C
Computed Properties
- Exact Mass: 222.10052
- Monoisotopic Mass: 222.10044231g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 252
- 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: 2.4
- Topological Polar Surface Area: 74.9?2
Experimental Properties
- PSA: 72.24
Benzamide,N-(2-methylpropyl)-4-nitro- Related Literature
-
Renzhong Fu,Yang Yang,Jin Zhang,Jintao Shao,Xuming Xia,Yunsheng Ma,Rongxin Yuan Org. Biomol. Chem. 2016 14 1784
2585-25-3 (Benzamide,N-(2-methylpropyl)-4-nitro-) Related Products
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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