N-(3-cyanophenyl)-5-methyl-2-nitrobenzamide

C15H11N3O3 — CID 65461418

IUPACN-(3-cyanophenyl)-5-methyl-2-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C15H11N3O3/c1-10-5-6-14(18(20)21)13(7-10)15(19)17-12-4-2-3-11(8-12)9-16/h2-8H,1H3,(H,17,19)
InChIKeyZNJFYTQYCPTEJO-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.03
Rot. Bonds3

About N-(3-cyanophenyl)-5-methyl-2-nitrobenzamide

N-(3-cyanophenyl)-5-methyl-2-nitrobenzamide (PubChem CID 65461418) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-methyl-2-nitrobenzamide
PubChem CID65461418
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC NameN-(3-cyanophenyl)-5-methyl-2-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C15H11N3O3/c1-10-5-6-14(18(20)21)13(7-10)15(19)17-12-4-2-3-11(8-12)9-16/h2-8H,1H3,(H,17,19)
InChIKeyZNJFYTQYCPTEJO-UHFFFAOYSA-N
XLogP3.03
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-cyanophenyl)-5-methyl-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide
CID 102740776
N-(3-cyanophenyl)-5-methylsulfanyl-2-nitrobenzamide
CID 27872899
N-(3-ethynylphenyl)-5-hydroxy-2-nitrobenzamide
CID 102740276
4-cyano-2-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 2989901
2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide
CID 62512688
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057187
4-cyano-2-fluoro-N-(4-methyl-2-nitrophenyl)benzamide
CID 17102128
N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-5-methyl-2-nitrobenzamide
CID 71853025
2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 115936364

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-methyl-2-nitrobenzamide?
The IUPAC name of N-(3-cyanophenyl)-5-methyl-2-nitrobenzamide (CID 65461418) is N-(3-cyanophenyl)-5-methyl-2-nitrobenzamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-methyl-2-nitrobenzamide?
The canonical SMILES for N-(3-cyanophenyl)-5-methyl-2-nitrobenzamide is Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-methyl-2-nitrobenzamide?
The InChIKey is ZNJFYTQYCPTEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-10-5-6-14(18(20)21)13(7-10)15(19)17-12-4-2-3-11(8-12)9-16/h2-8H,1H3,(H,17,19).
What are the key properties of N-(3-cyanophenyl)-5-methyl-2-nitrobenzamide?
N-(3-cyanophenyl)-5-methyl-2-nitrobenzamide has a molecular weight of 281.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-methyl-2-nitrobenzamide is sourced from PubChem (CID 65461418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).