N-methyl-2-(4-nitrophenyl)benzamide

C14H12N2O3 — CID 176857926

IUPACN-methyl-2-(4-nitrophenyl)benzamide
SMILESCNC(=O)c1ccccc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O3/c1-15-14(17)13-5-3-2-4-12(13)10-6-8-11(9-7-10)16(18)19/h2-9H,1H3,(H,15,17)
InChIKeyOIKWHJMUDSTDEX-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.62
Rot. Bonds3

About N-methyl-2-(4-nitrophenyl)benzamide

N-methyl-2-(4-nitrophenyl)benzamide (PubChem CID 176857926) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-methyl-2-(4-nitrophenyl)benzamide.

Molecular Properties

Compound NameN-methyl-2-(4-nitrophenyl)benzamide
PubChem CID176857926
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC NameN-methyl-2-(4-nitrophenyl)benzamide
SMILESCNC(=O)c1ccccc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O3/c1-15-14(17)13-5-3-2-4-12(13)10-6-8-11(9-7-10)16(18)19/h2-9H,1H3,(H,15,17)
InChIKeyOIKWHJMUDSTDEX-UHFFFAOYSA-N
XLogP2.62
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-2-(4-nitrophenyl)benzamide 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

2-(4-nitrophenyl)benzenecarbothioamide
CID 87769374
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
dimethyl 3-(4-nitrophenyl)benzene-1,2-dicarboxylate
CID 177479730
N-methyl-2-[(4-nitrobenzoyl)carbamothioylamino]benzamide
CID 17354104
2-(methylcarbamoyl)-4-nitrophenolate
CID 7072316
2-[2-(methylcarbamoyl)phenyl]sulfanyl-5-nitrobenzoic acid
CID 2801936
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
N-methyl-3-nitronaphthalene-1-carboxamide
CID 54231146
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylbenzamide
CID 135063561
[2-(4-nitrophenyl)phenyl] hydrogen carbonate
CID 54291059
4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide
CID 91087652
N-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide
CID 118529854

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-nitrophenyl)benzamide?
The IUPAC name of N-methyl-2-(4-nitrophenyl)benzamide (CID 176857926) is N-methyl-2-(4-nitrophenyl)benzamide.
What is the SMILES notation for N-methyl-2-(4-nitrophenyl)benzamide?
The canonical SMILES for N-methyl-2-(4-nitrophenyl)benzamide is CNC(=O)c1ccccc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-2-(4-nitrophenyl)benzamide?
The InChIKey is OIKWHJMUDSTDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-15-14(17)13-5-3-2-4-12(13)10-6-8-11(9-7-10)16(18)19/h2-9H,1H3,(H,15,17).
What are the key properties of N-methyl-2-(4-nitrophenyl)benzamide?
N-methyl-2-(4-nitrophenyl)benzamide has a molecular weight of 256.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-nitrophenyl)benzamide is sourced from PubChem (CID 176857926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).