N-benzhydryl-4-nitrobenzamide

C20H16N2O3 — CID 676068

IUPACN-benzhydryl-4-nitrobenzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H16N2O3/c23-20(17-11-13-18(14-12-17)22(24)25)21-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H,21,23)
InChIKeyQOFQAPLKOBQCKQ-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.11
Rot. Bonds5

About N-benzhydryl-4-nitrobenzamide

N-benzhydryl-4-nitrobenzamide (PubChem CID 676068) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-benzhydryl-4-nitrobenzamide.

Molecular Properties

Compound NameN-benzhydryl-4-nitrobenzamide
PubChem CID676068
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC NameN-benzhydryl-4-nitrobenzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H16N2O3/c23-20(17-11-13-18(14-12-17)22(24)25)21-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H,21,23)
InChIKeyQOFQAPLKOBQCKQ-UHFFFAOYSA-N
XLogP4.11
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.11
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'}

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Related Compounds

N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide
CID 8798028
N-[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]benzamide
CID 46933545
4-nitro-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43890144
dimethyl-[(2S)-2-[(4-nitrobenzoyl)amino]-2-phenylethyl]azanium
CID 8936075
methyl (3S)-3-[(4-nitrobenzoyl)amino]-3-phenylpropanoate
CID 91556089
N-[(4-methylphenyl)-phenylmethyl]-3-nitrobenzamide
CID 43886300
4-nitro-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]benzamide
CID 786413
N-[(2R)-3-methylbutan-2-yl]-4-nitrobenzamide
CID 92515236
3-methyl-2-[(4-nitrobenzoyl)amino]butanoic acid
CID 3588676
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide
CID 54785337
N-[(4-hydroxyphenyl)-phenylmethyl]benzamide
CID 135070955
N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide
CID 8928120

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-nitrobenzamide?
The IUPAC name of N-benzhydryl-4-nitrobenzamide (CID 676068) is N-benzhydryl-4-nitrobenzamide.
What is the SMILES notation for N-benzhydryl-4-nitrobenzamide?
The canonical SMILES for N-benzhydryl-4-nitrobenzamide is O=C(NC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-benzhydryl-4-nitrobenzamide?
The InChIKey is QOFQAPLKOBQCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-20(17-11-13-18(14-12-17)22(24)25)21-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H,21,23).
What are the key properties of N-benzhydryl-4-nitrobenzamide?
N-benzhydryl-4-nitrobenzamide has a molecular weight of 332.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-nitrobenzamide is sourced from PubChem (CID 676068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).