4-[(2-nitro-2-phenylacetyl)amino]benzamide

C15H13N3O4 — CID 175262505

IUPAC4-[(2-nitro-2-phenylacetyl)amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)C(c2ccccc2)[N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O4/c16-14(19)11-6-8-12(9-7-11)17-15(20)13(18(21)22)10-4-2-1-3-5-10/h1-9,13H,(H2,16,19)(H,17,20)
InChIKeyKDMSKKIXTVTCHZ-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.74
Rot. Bonds5

About 4-[(2-nitro-2-phenylacetyl)amino]benzamide

4-[(2-nitro-2-phenylacetyl)amino]benzamide (PubChem CID 175262505) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 4-[(2-nitro-2-phenylacetyl)amino]benzamide.

Molecular Properties

Compound Name4-[(2-nitro-2-phenylacetyl)amino]benzamide
PubChem CID175262505
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name4-[(2-nitro-2-phenylacetyl)amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)C(c2ccccc2)[N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O4/c16-14(19)11-6-8-12(9-7-11)17-15(20)13(18(21)22)10-4-2-1-3-5-10/h1-9,13H,(H2,16,19)(H,17,20)
InChIKeyKDMSKKIXTVTCHZ-UHFFFAOYSA-N
XLogP1.74
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.74
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'}

Analyze 4-[(2-nitro-2-phenylacetyl)amino]benzamide 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

4-[[(2S)-2-amino-2-phenylacetyl]amino]benzamide
CID 22691729
4-[(2-methoxy-2-phenylacetyl)amino]benzamide
CID 2896452
4-[[(2R)-2-(benzhydrylamino)propanoyl]amino]benzamide
CID 7971112
4-(4-carbamoylanilino)-4-oxo-2-phenylbutanoic acid
CID 42930491
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-nitrophenyl)acetate
CID 8765865
4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide
CID 8608028
4-[(2-benzyl-3-sulfanylpropanoyl)amino]benzamide
CID 19842346
4-[[(2S)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanoyl]amino]benzamide
CID 9051191
N,N'-bis(4-nitrophenyl)-2-phenylpropanediamide
CID 3396330
4-(2-anilino-2-oxoethyl)sulfanyl-3-nitrobenzamide
CID 26913557
4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide
CID 7509866
3-chloro-2-nitro-N-phenylpropanamide
CID 87880958

Frequently Asked Questions

What is the IUPAC name of 4-[(2-nitro-2-phenylacetyl)amino]benzamide?
The IUPAC name of 4-[(2-nitro-2-phenylacetyl)amino]benzamide (CID 175262505) is 4-[(2-nitro-2-phenylacetyl)amino]benzamide.
What is the SMILES notation for 4-[(2-nitro-2-phenylacetyl)amino]benzamide?
The canonical SMILES for 4-[(2-nitro-2-phenylacetyl)amino]benzamide is NC(=O)c1ccc(NC(=O)C(c2ccccc2)[N+](=O)[O-])cc1.
What is the InChIKey of 4-[(2-nitro-2-phenylacetyl)amino]benzamide?
The InChIKey is KDMSKKIXTVTCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c16-14(19)11-6-8-12(9-7-11)17-15(20)13(18(21)22)10-4-2-1-3-5-10/h1-9,13H,(H2,16,19)(H,17,20).
What are the key properties of 4-[(2-nitro-2-phenylacetyl)amino]benzamide?
4-[(2-nitro-2-phenylacetyl)amino]benzamide has a molecular weight of 299.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-nitro-2-phenylacetyl)amino]benzamide is sourced from PubChem (CID 175262505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).