3-[(3-nitrobenzoyl)amino]benzamide

C14H11N3O4 — CID 25431511

IUPAC3-[(3-nitrobenzoyl)amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H11N3O4/c15-13(18)9-3-1-5-11(7-9)16-14(19)10-4-2-6-12(8-10)17(20)21/h1-8H,(H2,15,18)(H,16,19)
InChIKeyQGBWBCFLZMGMFN-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.95
Rot. Bonds4

About 3-[(3-nitrobenzoyl)amino]benzamide

3-[(3-nitrobenzoyl)amino]benzamide (PubChem CID 25431511) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 3-[(3-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound Name3-[(3-nitrobenzoyl)amino]benzamide
PubChem CID25431511
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name3-[(3-nitrobenzoyl)amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H11N3O4/c15-13(18)9-3-1-5-11(7-9)16-14(19)10-4-2-6-12(8-10)17(20)21/h1-8H,(H2,15,18)(H,16,19)
InChIKeyQGBWBCFLZMGMFN-UHFFFAOYSA-N
XLogP1.95
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
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'}

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Related Compounds

3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
3-[(3-nitrobenzoyl)amino]benzoic acid;hydrochloride
CID 67278750
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
N-(3-anilinophenyl)-3-nitrobenzamide
CID 78799022
propan-2-yl 3-[(3-nitrobenzoyl)amino]benzoate
CID 23849037
3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 767050
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 2990730
N-[3-(azepane-1-carbonyl)phenyl]-3-nitrobenzamide
CID 26159248
3-[(3-nitrobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 40740169
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809

Frequently Asked Questions

What is the IUPAC name of 3-[(3-nitrobenzoyl)amino]benzamide?
The IUPAC name of 3-[(3-nitrobenzoyl)amino]benzamide (CID 25431511) is 3-[(3-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for 3-[(3-nitrobenzoyl)amino]benzamide?
The canonical SMILES for 3-[(3-nitrobenzoyl)amino]benzamide is NC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 3-[(3-nitrobenzoyl)amino]benzamide?
The InChIKey is QGBWBCFLZMGMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c15-13(18)9-3-1-5-11(7-9)16-14(19)10-4-2-6-12(8-10)17(20)21/h1-8H,(H2,15,18)(H,16,19).
What are the key properties of 3-[(3-nitrobenzoyl)amino]benzamide?
3-[(3-nitrobenzoyl)amino]benzamide has a molecular weight of 285.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 25431511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).