2-[3-(4-chlorophenyl)phenyl]prop-2-enamide

C15H12ClNO — CID 174399268

IUPAC2-[3-(4-chlorophenyl)phenyl]prop-2-enamide
SMILESC=C(C(N)=O)c1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H12ClNO/c1-10(15(17)18)12-3-2-4-13(9-12)11-5-7-14(16)8-6-11/h2-9H,1H2,(H2,17,18)
InChIKeyGTLSGYOSSVFAEG-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.51
Rot. Bonds3

About 2-[3-(4-chlorophenyl)phenyl]prop-2-enamide

2-[3-(4-chlorophenyl)phenyl]prop-2-enamide (PubChem CID 174399268) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)phenyl]prop-2-enamide
PubChem CID174399268
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name2-[3-(4-chlorophenyl)phenyl]prop-2-enamide
SMILESC=C(C(N)=O)c1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H12ClNO/c1-10(15(17)18)12-3-2-4-13(9-12)11-5-7-14(16)8-6-11/h2-9H,1H2,(H2,17,18)
InChIKeyGTLSGYOSSVFAEG-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
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 2-[3-(4-chlorophenyl)phenyl]prop-2-enamide?
The IUPAC name of 2-[3-(4-chlorophenyl)phenyl]prop-2-enamide (CID 174399268) is 2-[3-(4-chlorophenyl)phenyl]prop-2-enamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)phenyl]prop-2-enamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)phenyl]prop-2-enamide is C=C(C(N)=O)c1cccc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[3-(4-chlorophenyl)phenyl]prop-2-enamide?
The InChIKey is GTLSGYOSSVFAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-10(15(17)18)12-3-2-4-13(9-12)11-5-7-14(16)8-6-11/h2-9H,1H2,(H2,17,18).
What are the key properties of 2-[3-(4-chlorophenyl)phenyl]prop-2-enamide?
2-[3-(4-chlorophenyl)phenyl]prop-2-enamide has a molecular weight of 257.72 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)phenyl]prop-2-enamide is sourced from PubChem (CID 174399268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).