3-acetamido-N-(4-nitrophenyl)benzamide

C15H13N3O4 — CID 127116027

IUPAC3-acetamido-N-(4-nitrophenyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H13N3O4/c1-10(19)16-13-4-2-3-11(9-13)15(20)17-12-5-7-14(8-6-12)18(21)22/h2-9H,1H3,(H,16,19)(H,17,20)
InChIKeyXPENDOYEAIFPCC-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.81
Rot. Bonds4

About 3-acetamido-N-(4-nitrophenyl)benzamide

3-acetamido-N-(4-nitrophenyl)benzamide (PubChem CID 127116027) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3-acetamido-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(4-nitrophenyl)benzamide
PubChem CID127116027
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name3-acetamido-N-(4-nitrophenyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H13N3O4/c1-10(19)16-13-4-2-3-11(9-13)15(20)17-12-5-7-14(8-6-12)18(21)22/h2-9H,1H3,(H,16,19)(H,17,20)
InChIKeyXPENDOYEAIFPCC-UHFFFAOYSA-N
XLogP2.81
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.81
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

N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide
CID 3455243
methyl 3-[(4-nitrophenyl)carbamoyl]benzoate
CID 17175216
3-(2,2-dimethylpropanoylamino)-N-[4-(4-nitrophenyl)sulfanylphenyl]benzamide
CID 1369130
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-nitrobenzamide
CID 24705666
N-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 34636674
3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 122714277
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126229161
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
N-[3-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-4-nitrobenzamide
CID 90897121

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4-nitrophenyl)benzamide?
The IUPAC name of 3-acetamido-N-(4-nitrophenyl)benzamide (CID 127116027) is 3-acetamido-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 3-acetamido-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 3-acetamido-N-(4-nitrophenyl)benzamide is CC(=O)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 3-acetamido-N-(4-nitrophenyl)benzamide?
The InChIKey is XPENDOYEAIFPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-10(19)16-13-4-2-3-11(9-13)15(20)17-12-5-7-14(8-6-12)18(21)22/h2-9H,1H3,(H,16,19)(H,17,20).
What are the key properties of 3-acetamido-N-(4-nitrophenyl)benzamide?
3-acetamido-N-(4-nitrophenyl)benzamide has a molecular weight of 299.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 127116027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).