2-cyano-N-(3-nitrophenyl)-2-phenylacetamide

C15H11N3O3 — CID 62877185

IUPAC2-cyano-N-(3-nitrophenyl)-2-phenylacetamide
SMILESN#CC(C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C15H11N3O3/c16-10-14(11-5-2-1-3-6-11)15(19)17-12-7-4-8-13(9-12)18(20)21/h1-9,14H,(H,17,19)
InChIKeyCDPZIOMSNUJXRC-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.84
Rot. Bonds4

About 2-cyano-N-(3-nitrophenyl)-2-phenylacetamide

2-cyano-N-(3-nitrophenyl)-2-phenylacetamide (PubChem CID 62877185) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-cyano-N-(3-nitrophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-(3-nitrophenyl)-2-phenylacetamide
PubChem CID62877185
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name2-cyano-N-(3-nitrophenyl)-2-phenylacetamide
SMILESN#CC(C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C15H11N3O3/c16-10-14(11-5-2-1-3-6-11)15(19)17-12-7-4-8-13(9-12)18(20)21/h1-9,14H,(H,17,19)
InChIKeyCDPZIOMSNUJXRC-UHFFFAOYSA-N
XLogP2.84
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
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-(3-nitrophenyl)-3-oxo-2-phenylpropanenitrile
CID 43156671
2-cyano-N-(3-ethynylphenyl)-2-phenylacetamide
CID 62877869
2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 62878043
benzhydryl 4-(3-nitroanilino)-4-oxobutanoate
CID 1310271
N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide
CID 63334572
2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide
CID 32989896
(2S,3R)-2,3-dibenzoyloxy-4-(3-nitroanilino)-4-oxobutanoic acid
CID 41302237
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide
CID 107574565
3-(3-nitrophenyl)-3-oxo-2-pyridin-4-ylpropanenitrile
CID 80525328
N,N'-bis(4-nitrophenyl)-2-phenylpropanediamide
CID 3396330
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-nitrophenyl)-2-phenylacetamide?
The IUPAC name of 2-cyano-N-(3-nitrophenyl)-2-phenylacetamide (CID 62877185) is 2-cyano-N-(3-nitrophenyl)-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-(3-nitrophenyl)-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-(3-nitrophenyl)-2-phenylacetamide is N#CC(C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of 2-cyano-N-(3-nitrophenyl)-2-phenylacetamide?
The InChIKey is CDPZIOMSNUJXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c16-10-14(11-5-2-1-3-6-11)15(19)17-12-7-4-8-13(9-12)18(20)21/h1-9,14H,(H,17,19).
What are the key properties of 2-cyano-N-(3-nitrophenyl)-2-phenylacetamide?
2-cyano-N-(3-nitrophenyl)-2-phenylacetamide has a molecular weight of 281.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-nitrophenyl)-2-phenylacetamide is sourced from PubChem (CID 62877185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).