N-(2-cyano-2-phenylethenyl)benzamide

C16H12N2O — CID 570201

IUPACN-(2-cyano-2-phenylethenyl)benzamide
SMILESN#CC(=CNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12N2O/c17-11-15(13-7-3-1-4-8-13)12-18-16(19)14-9-5-2-6-10-14/h1-10,12H,(H,18,19)
InChIKeyNDBWTUQLCOWKRN-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.98
Rot. Bonds3

About N-(2-cyano-2-phenylethenyl)benzamide

N-(2-cyano-2-phenylethenyl)benzamide (PubChem CID 570201) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(2-cyano-2-phenylethenyl)benzamide.

Molecular Properties

Compound NameN-(2-cyano-2-phenylethenyl)benzamide
PubChem CID570201
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC NameN-(2-cyano-2-phenylethenyl)benzamide
SMILESN#CC(=CNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12N2O/c17-11-15(13-7-3-1-4-8-13)12-18-16(19)14-9-5-2-6-10-14/h1-10,12H,(H,18,19)
InChIKeyNDBWTUQLCOWKRN-UHFFFAOYSA-N
XLogP2.98
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dichloroethenyl)benzamide
CID 2131512
4-oxo-2-phenylpent-2-enenitrile
CID 91279412
N-carbonocyanidoylbenzamide
CID 121227366
(Z)-2-phenyl-3-sulfanylprop-2-enenitrile
CID 134999873
N-(2,2-dichloroethenyl)benzamide;dihydroxy(oxo)phosphanium
CID 174677008
N-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide
CID 11846933
3-anilino-2-(4-chlorophenyl)prop-2-enenitrile
CID 3263591
(Z)-2-phenylhex-2-enenitrile
CID 5463415
N'-(1,2,2-tricyanoethenyl)benzohydrazide
CID 569500
N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide
CID 102308068
(Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile
CID 177424330
N-[(E)-2-cyano-3-(2-hydroxyanilino)prop-2-enoyl]benzamide
CID 16740256

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-2-phenylethenyl)benzamide?
The IUPAC name of N-(2-cyano-2-phenylethenyl)benzamide (CID 570201) is N-(2-cyano-2-phenylethenyl)benzamide.
What is the SMILES notation for N-(2-cyano-2-phenylethenyl)benzamide?
The canonical SMILES for N-(2-cyano-2-phenylethenyl)benzamide is N#CC(=CNC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-cyano-2-phenylethenyl)benzamide?
The InChIKey is NDBWTUQLCOWKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c17-11-15(13-7-3-1-4-8-13)12-18-16(19)14-9-5-2-6-10-14/h1-10,12H,(H,18,19).
What are the key properties of N-(2-cyano-2-phenylethenyl)benzamide?
N-(2-cyano-2-phenylethenyl)benzamide has a molecular weight of 248.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-2-phenylethenyl)benzamide is sourced from PubChem (CID 570201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).