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

C16H14ClNO2 — CID 4255555

IUPACN-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide
SMILESCN(C(=O)CC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2/c1-18(14-9-7-13(17)8-10-14)16(20)11-15(19)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyQVEBOTYSBUHWHA-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.58
Rot. Bonds4

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

N-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide (PubChem CID 4255555) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide
PubChem CID4255555
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC NameN-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide
SMILESCN(C(=O)CC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2/c1-18(14-9-7-13(17)8-10-14)16(20)11-15(19)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyQVEBOTYSBUHWHA-UHFFFAOYSA-N
XLogP3.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.58
H-Bond Donors ≤ 50
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)-N-methyl-3-oxo-3-phenylpropanamide?
The IUPAC name of N-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide (CID 4255555) is N-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide is CN(C(=O)CC(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide?
The InChIKey is QVEBOTYSBUHWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-18(14-9-7-13(17)8-10-14)16(20)11-15(19)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide?
N-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide has a molecular weight of 287.75 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 4255555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).