(E)-3-(2-chlorophenyl)-N-phenylprop-2-enamide

C15H12ClNO — CID 737170

IUPAC(E)-3-(2-chlorophenyl)-N-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C15H12ClNO/c16-14-9-5-4-6-12(14)10-11-15(18)17-13-7-2-1-3-8-13/h1-11H,(H,17,18)/b11-10+
InChIKeySPGGGKNPDWVLRC-ZHACJKMWSA-N
MW257.72 g/mol
LogP3.99
Rot. Bonds3

About (E)-3-(2-chlorophenyl)-N-phenylprop-2-enamide

(E)-3-(2-chlorophenyl)-N-phenylprop-2-enamide (PubChem CID 737170) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-phenylprop-2-enamide
PubChem CID737170
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name(E)-3-(2-chlorophenyl)-N-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C15H12ClNO/c16-14-9-5-4-6-12(14)10-11-15(18)17-13-7-2-1-3-8-13/h1-11H,(H,17,18)/b11-10+
InChIKeySPGGGKNPDWVLRC-ZHACJKMWSA-N
XLogP3.99
TPSA29.10 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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-phenylprop-2-enamide (CID 737170) is (E)-3-(2-chlorophenyl)-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-phenylprop-2-enamide is O=C(/C=C/c1ccccc1Cl)Nc1ccccc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-phenylprop-2-enamide?
The InChIKey is SPGGGKNPDWVLRC-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-14-9-5-4-6-12(14)10-11-15(18)17-13-7-2-1-3-8-13/h1-11H,(H,17,18)/b11-10+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-phenylprop-2-enamide?
(E)-3-(2-chlorophenyl)-N-phenylprop-2-enamide has a molecular weight of 257.72 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-phenylprop-2-enamide is sourced from PubChem (CID 737170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).