N-(2-acetamidophenyl)-4-nitrobenzamide

C15H13N3O4 — CID 3737317

IUPACN-(2-acetamidophenyl)-4-nitrobenzamide
SMILESCC(=O)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O4/c1-10(19)16-13-4-2-3-5-14(13)17-15(20)11-6-8-12(9-7-11)18(21)22/h2-9H,1H3,(H,16,19)(H,17,20)
InChIKeyBJUMCMOZGVWYDW-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.81
Rot. Bonds4

About N-(2-acetamidophenyl)-4-nitrobenzamide

N-(2-acetamidophenyl)-4-nitrobenzamide (PubChem CID 3737317) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-(2-acetamidophenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-acetamidophenyl)-4-nitrobenzamide
PubChem CID3737317
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC NameN-(2-acetamidophenyl)-4-nitrobenzamide
SMILESCC(=O)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O4/c1-10(19)16-13-4-2-3-5-14(13)17-15(20)11-6-8-12(9-7-11)18(21)22/h2-9H,1H3,(H,16,19)(H,17,20)
InChIKeyBJUMCMOZGVWYDW-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-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
N-(2-formylphenyl)-4-nitrobenzamide
CID 142750157
N-[2-(bromomethyl)phenyl]-4-nitrobenzamide
CID 114309682
N-[2-(3,3-dimethylbut-1-ynyl)phenyl]-4-nitrobenzamide
CID 52912285
2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid
CID 28671223
4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 788210
N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
CID 47064408
4-chloro-N-[2-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126001785
N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126001886
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
N-(2-acetyl-5-nitrophenyl)benzamide
CID 154214171
N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide
CID 2208926

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidophenyl)-4-nitrobenzamide?
The IUPAC name of N-(2-acetamidophenyl)-4-nitrobenzamide (CID 3737317) is N-(2-acetamidophenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(2-acetamidophenyl)-4-nitrobenzamide?
The canonical SMILES for N-(2-acetamidophenyl)-4-nitrobenzamide is CC(=O)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-acetamidophenyl)-4-nitrobenzamide?
The InChIKey is BJUMCMOZGVWYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-10(19)16-13-4-2-3-5-14(13)17-15(20)11-6-8-12(9-7-11)18(21)22/h2-9H,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(2-acetamidophenyl)-4-nitrobenzamide?
N-(2-acetamidophenyl)-4-nitrobenzamide 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 N-(2-acetamidophenyl)-4-nitrobenzamide is sourced from PubChem (CID 3737317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).