N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide

C15H12ClNO2 — CID 570768

IUPACN-(4-chlorophenyl)-3-oxo-3-phenylpropanamide
SMILESO=C(CC(=O)c1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO2/c16-12-6-8-13(9-7-12)17-15(19)10-14(18)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)
InChIKeyKOIRFNQRSJGKSY-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.55
Rot. Bonds4

About N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide

N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide (PubChem CID 570768) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-oxo-3-phenylpropanamide
PubChem CID570768
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC NameN-(4-chlorophenyl)-3-oxo-3-phenylpropanamide
SMILESO=C(CC(=O)c1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO2/c16-12-6-8-13(9-7-12)17-15(19)10-14(18)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)
InChIKeyKOIRFNQRSJGKSY-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide?
The IUPAC name of N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide (CID 570768) is N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide is O=C(CC(=O)c1ccccc1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide?
The InChIKey is KOIRFNQRSJGKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-12-6-8-13(9-7-12)17-15(19)10-14(18)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide?
N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide has a molecular weight of 273.72 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 570768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).