2-(4-chloroanilino)-1-phenylpropan-1-one

C15H14ClNO — CID 14026529

IUPAC2-(4-chloroanilino)-1-phenylpropan-1-one
SMILESCC(Nc1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C15H14ClNO/c1-11(15(18)12-5-3-2-4-6-12)17-14-9-7-13(16)8-10-14/h2-11,17H,1H3
InChIKeyBLBWIWHGCVFAAE-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.02
Rot. Bonds4

About 2-(4-chloroanilino)-1-phenylpropan-1-one

2-(4-chloroanilino)-1-phenylpropan-1-one (PubChem CID 14026529) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-(4-chloroanilino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(4-chloroanilino)-1-phenylpropan-1-one
PubChem CID14026529
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name2-(4-chloroanilino)-1-phenylpropan-1-one
SMILESCC(Nc1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C15H14ClNO/c1-11(15(18)12-5-3-2-4-6-12)17-14-9-7-13(16)8-10-14/h2-11,17H,1H3
InChIKeyBLBWIWHGCVFAAE-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloroanilino)-1-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-anilino-1-phenylpropan-1-one
CID 577481
2-(4-chloroanilino)propanamide
CID 43085931
(2R)-2-(4-chloroanilino)propanoate
CID 7152546
2-(4-chloroanilino)-3-(4-fluorophenyl)-1-phenylpentan-1-one
CID 135010165
methyl (2S)-2-(4-chloroanilino)propanoate
CID 18442844
(2S)-2-(4-benzoylanilino)propanoic acid
CID 54396122
2-(4-benzoylanilino)propanoic acid
CID 23202897
N-benzyl-2-(4-chloroanilino)-N-methylpropanamide
CID 78786179
(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide
CID 25346914
(2R)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 86308998
(2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 25351776
2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135821532

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-1-phenylpropan-1-one?
The IUPAC name of 2-(4-chloroanilino)-1-phenylpropan-1-one (CID 14026529) is 2-(4-chloroanilino)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(4-chloroanilino)-1-phenylpropan-1-one?
The canonical SMILES for 2-(4-chloroanilino)-1-phenylpropan-1-one is CC(Nc1ccc(Cl)cc1)C(=O)c1ccccc1.
What is the InChIKey of 2-(4-chloroanilino)-1-phenylpropan-1-one?
The InChIKey is BLBWIWHGCVFAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-11(15(18)12-5-3-2-4-6-12)17-14-9-7-13(16)8-10-14/h2-11,17H,1H3.
What are the key properties of 2-(4-chloroanilino)-1-phenylpropan-1-one?
2-(4-chloroanilino)-1-phenylpropan-1-one has a molecular weight of 259.74 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-1-phenylpropan-1-one is sourced from PubChem (CID 14026529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).