N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide

C17H14N2O2 — CID 110473207

IUPACN-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide
SMILESN#Cc1ccc(CNC(=O)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H14N2O2/c18-11-13-6-8-14(9-7-13)12-19-17(21)10-16(20)15-4-2-1-3-5-15/h1-9H,10,12H2,(H,19,21)
InChIKeyFUYBFROTEZMGOH-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.45
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide

N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide (PubChem CID 110473207) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide
PubChem CID110473207
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide
SMILESN#Cc1ccc(CNC(=O)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H14N2O2/c18-11-13-6-8-14(9-7-13)12-19-17(21)10-16(20)15-4-2-1-3-5-15/h1-9H,10,12H2,(H,19,21)
InChIKeyFUYBFROTEZMGOH-UHFFFAOYSA-N
XLogP2.45
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide 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-[(4-aminophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 110483777
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide
CID 134035388
4-(2-cyanoacetyl)-N-[(4-cyanophenyl)methyl]benzamide
CID 170943860
N-[(4-cyanophenyl)methyl]-N'-phenyloxamide
CID 166188116
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46591143
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
N-benzyl-2-(4-cyano-N-methylanilino)acetamide
CID 62982094
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 46587432
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide (CID 110473207) is N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide is N#Cc1ccc(CNC(=O)CC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide?
The InChIKey is FUYBFROTEZMGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c18-11-13-6-8-14(9-7-13)12-19-17(21)10-16(20)15-4-2-1-3-5-15/h1-9H,10,12H2,(H,19,21).
What are the key properties of N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide?
N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide has a molecular weight of 278.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 110473207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).