N-[3-(4-nitrophenyl)phenyl]benzamide

C19H14N2O3 — CID 170346171

IUPACN-[3-(4-nitrophenyl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1
InChIInChI=1S/C19H14N2O3/c22-19(15-5-2-1-3-6-15)20-17-8-4-7-16(13-17)14-9-11-18(12-10-14)21(23)24/h1-13H,(H,20,22)
InChIKeyQPKGZUBFKIVFBX-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.51
Rot. Bonds4

About N-[3-(4-nitrophenyl)phenyl]benzamide

N-[3-(4-nitrophenyl)phenyl]benzamide (PubChem CID 170346171) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[3-(4-nitrophenyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(4-nitrophenyl)phenyl]benzamide
PubChem CID170346171
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC NameN-[3-(4-nitrophenyl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1
InChIInChI=1S/C19H14N2O3/c22-19(15-5-2-1-3-6-15)20-17-8-4-7-16(13-17)14-9-11-18(12-10-14)21(23)24/h1-13H,(H,20,22)
InChIKeyQPKGZUBFKIVFBX-UHFFFAOYSA-N
XLogP4.51
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.51
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-[3-(4-nitrophenyl)phenyl]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

N-[4-(3-nitrophenyl)phenyl]benzamide
CID 173440643
N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 3127976
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
CID 110444896
3-[(4-nitrobenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45018627
N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide
CID 28638777
3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 122714277
3-acetamido-N-(4-nitrophenyl)benzamide
CID 127116027
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide
CID 1309584
3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1300799

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-nitrophenyl)phenyl]benzamide?
The IUPAC name of N-[3-(4-nitrophenyl)phenyl]benzamide (CID 170346171) is N-[3-(4-nitrophenyl)phenyl]benzamide.
What is the SMILES notation for N-[3-(4-nitrophenyl)phenyl]benzamide?
The canonical SMILES for N-[3-(4-nitrophenyl)phenyl]benzamide is O=C(Nc1cccc(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1.
What is the InChIKey of N-[3-(4-nitrophenyl)phenyl]benzamide?
The InChIKey is QPKGZUBFKIVFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-19(15-5-2-1-3-6-15)20-17-8-4-7-16(13-17)14-9-11-18(12-10-14)21(23)24/h1-13H,(H,20,22).
What are the key properties of N-[3-(4-nitrophenyl)phenyl]benzamide?
N-[3-(4-nitrophenyl)phenyl]benzamide has a molecular weight of 318.33 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-nitrophenyl)phenyl]benzamide is sourced from PubChem (CID 170346171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).