4-chloro-2-[(E)-2-phenylethenyl]benzamide

C15H12ClNO — CID 10106537

IUPAC4-chloro-2-[(E)-2-phenylethenyl]benzamide
SMILESNC(=O)c1ccc(Cl)cc1/C=C/c1ccccc1
InChIInChI=1S/C15H12ClNO/c16-13-8-9-14(15(17)18)12(10-13)7-6-11-4-2-1-3-5-11/h1-10H,(H2,17,18)/b7-6+
InChIKeyZIBUSJHUAYSUGQ-VOTSOKGWSA-N
MW257.72 g/mol
LogP3.61
Rot. Bonds3

About 4-chloro-2-[(E)-2-phenylethenyl]benzamide

4-chloro-2-[(E)-2-phenylethenyl]benzamide (PubChem CID 10106537) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-2-[(E)-2-phenylethenyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-[(E)-2-phenylethenyl]benzamide
PubChem CID10106537
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name4-chloro-2-[(E)-2-phenylethenyl]benzamide
SMILESNC(=O)c1ccc(Cl)cc1/C=C/c1ccccc1
InChIInChI=1S/C15H12ClNO/c16-13-8-9-14(15(17)18)12(10-13)7-6-11-4-2-1-3-5-11/h1-10H,(H2,17,18)/b7-6+
InChIKeyZIBUSJHUAYSUGQ-VOTSOKGWSA-N
XLogP3.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-ethenylbenzamide
CID 15111018
5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide
CID 27266848
(3R)-4-amino-3-[4-chloro-2-(2-phenylethenyl)phenyl]butanoic acid
CID 90963604
2,4-dichloro-1-(2-phenylethenyl)benzene
CID 66779322
(E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one
CID 146010544
2-carbamoyl-5-chlorobenzoic acid
CID 57087443
(Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-1,3-diphenylprop-2-en-1-one
CID 135072365
(3R)-3-[4-chloro-2-(2-phenylethenyl)anilino]butanoic acid;hydrochloride
CID 66724785
1-(2,4-dichlorophenyl)-2-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]ethanone bromide
CID 45123596
(E)-1-(5-chloro-2-methylphenyl)-3-phenylprop-2-en-1-one
CID 146005953
(E)-1-[4-chloro-2-(2-phenylethynyl)phenyl]-3-phenylprop-2-en-1-one
CID 151021949
methyl 5-chloro-2-[(E)-3-phenylprop-2-enoyl]benzoate
CID 146010493

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-2-phenylethenyl]benzamide?
The IUPAC name of 4-chloro-2-[(E)-2-phenylethenyl]benzamide (CID 10106537) is 4-chloro-2-[(E)-2-phenylethenyl]benzamide.
What is the SMILES notation for 4-chloro-2-[(E)-2-phenylethenyl]benzamide?
The canonical SMILES for 4-chloro-2-[(E)-2-phenylethenyl]benzamide is NC(=O)c1ccc(Cl)cc1/C=C/c1ccccc1.
What is the InChIKey of 4-chloro-2-[(E)-2-phenylethenyl]benzamide?
The InChIKey is ZIBUSJHUAYSUGQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-13-8-9-14(15(17)18)12(10-13)7-6-11-4-2-1-3-5-11/h1-10H,(H2,17,18)/b7-6+.
What are the key properties of 4-chloro-2-[(E)-2-phenylethenyl]benzamide?
4-chloro-2-[(E)-2-phenylethenyl]benzamide has a molecular weight of 257.72 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-2-phenylethenyl]benzamide is sourced from PubChem (CID 10106537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).