N-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide

C23H18N2O — CID 5014584

IUPACN-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide
SMILESN#CC(=Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C23H18N2O/c24-16-22(23(26)25-17-19-7-3-1-4-8-19)15-18-11-13-21(14-12-18)20-9-5-2-6-10-20/h1-15H,17H2,(H,25,26)
InChIKeyBWJAKCGVEKELMH-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.58
Rot. Bonds5

About N-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide

N-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide (PubChem CID 5014584) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is N-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide
PubChem CID5014584
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC NameN-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide
SMILESN#CC(=Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C23H18N2O/c24-16-22(23(26)25-17-19-7-3-1-4-8-19)15-18-11-13-21(14-12-18)20-9-5-2-6-10-20/h1-15H,17H2,(H,25,26)
InChIKeyBWJAKCGVEKELMH-UHFFFAOYSA-N
XLogP4.58
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-anilinophenyl)-N-benzyl-2-cyanoprop-2-enamide
CID 9045300
2-cyano-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 3473703
(Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide
CID 2382425
(Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide
CID 124628601
(Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 2426715
(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
(E)-N-benzyl-3-(3-bromo-4-fluorophenyl)-2-cyanoprop-2-enamide
CID 7515560
(E)-N-benzyl-2-cyano-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
CID 7966899
(E)-N-benzyl-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide
CID 21207083
N-benzyl-2-cyano-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide
CID 76858246
(E)-2-cyano-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 112979583
N-carbamoyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide
CID 73380544

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide?
The IUPAC name of N-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide (CID 5014584) is N-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide.
What is the SMILES notation for N-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide?
The canonical SMILES for N-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide is N#CC(=Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide?
The InChIKey is BWJAKCGVEKELMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c24-16-22(23(26)25-17-19-7-3-1-4-8-19)15-18-11-13-21(14-12-18)20-9-5-2-6-10-20/h1-15H,17H2,(H,25,26).
What are the key properties of N-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide?
N-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide has a molecular weight of 338.41 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide is sourced from PubChem (CID 5014584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).