N-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide

C21H17N3O4 — CID 9082146

IUPACN-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide
SMILESO=C(CNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H17N3O4/c25-20(14-22-16-10-12-17(13-11-16)24(27)28)23-19-9-5-4-8-18(19)21(26)15-6-2-1-3-7-15/h1-13,22H,14H2,(H,23,25)
InChIKeyPQKPUIRGFQYNJH-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.88
Rot. Bonds7

About N-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide

N-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide (PubChem CID 9082146) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide
PubChem CID9082146
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide
SMILESO=C(CNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H17N3O4/c25-20(14-22-16-10-12-17(13-11-16)24(27)28)23-19-9-5-4-8-18(19)21(26)15-6-2-1-3-7-15/h1-13,22H,14H2,(H,23,25)
InChIKeyPQKPUIRGFQYNJH-UHFFFAOYSA-N
XLogP3.88
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide 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-(2-bromophenyl)-2-(4-nitroanilino)acetamide
CID 4780880
N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide
CID 7816683
N-(2-benzoylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 2949758
N-(2-benzoylphenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 8830519
N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide
CID 9082075
2-[[2-(2-benzoylanilino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771914
N-(2-benzoylphenyl)-2-fluoroacetamide
CID 70589823
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
1-(2-benzoyl-4-bromophenyl)-3-(4-nitrophenyl)urea
CID 3126800
N-(2-acetylphenyl)-2-(4-phenylanilino)acetamide
CID 39912347
2-(3-benzoylanilino)-1-(4-nitrophenyl)ethanone
CID 110824996
N'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide
CID 154759918

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide?
The IUPAC name of N-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide (CID 9082146) is N-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide is O=C(CNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide?
The InChIKey is PQKPUIRGFQYNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c25-20(14-22-16-10-12-17(13-11-16)24(27)28)23-19-9-5-4-8-18(19)21(26)15-6-2-1-3-7-15/h1-13,22H,14H2,(H,23,25).
What are the key properties of N-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide?
N-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide has a molecular weight of 375.38 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide is sourced from PubChem (CID 9082146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).