3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one

C22H20ClNO — CID 132592096

IUPAC3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
SMILESCc1cccc(NC(CC(=O)c2ccccc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H20ClNO/c1-16-6-5-9-20(14-16)24-21(17-10-12-19(23)13-11-17)15-22(25)18-7-3-2-4-8-18/h2-14,21,24H,15H2,1H3
InChIKeyIYJCTWJMUHXXKE-UHFFFAOYSA-N
MW349.86 g/mol
LogP6.07
Rot. Bonds6

About 3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one

3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one (PubChem CID 132592096) has the molecular formula C22H20ClNO and a molecular weight of 349.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
PubChem CID132592096
Molecular FormulaC22H20ClNO
Molecular Weight349.86 g/mol
Exact Mass349.12
IUPAC Name3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
SMILESCc1cccc(NC(CC(=O)c2ccccc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H20ClNO/c1-16-6-5-9-20(14-16)24-21(17-10-12-19(23)13-11-17)15-22(25)18-7-3-2-4-8-18/h2-14,21,24H,15H2,1H3
InChIKeyIYJCTWJMUHXXKE-UHFFFAOYSA-N
XLogP6.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.86
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-3-(3-methylanilino)-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

(3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one
CID 122397451
(3S)-1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-(3-methylanilino)propan-1-one
CID 40978401
3-(4-ethoxyphenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
CID 132592101
1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-methylanilino)propan-1-one
CID 132591655
(3R)-3-(4-chlorophenyl)-3-(3-nitroanilino)-1-phenylpropan-1-one
CID 2222825
3-(3-chloroanilino)-3-(4-chlorophenyl)-1-(4-fluorophenyl)propan-1-one
CID 132593574
3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one
CID 132592115
3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 17384404
3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 12996503
(3R)-3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 92512541
3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one
CID 15639390
3-(3-methylanilino)-1-(4-methylphenyl)-3-(4-nitrophenyl)propan-1-one
CID 132593538

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one (CID 132592096) is 3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one is Cc1cccc(NC(CC(=O)c2ccccc2)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one?
The InChIKey is IYJCTWJMUHXXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO/c1-16-6-5-9-20(14-16)24-21(17-10-12-19(23)13-11-17)15-22(25)18-7-3-2-4-8-18/h2-14,21,24H,15H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one?
3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one has a molecular weight of 349.86 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one is sourced from PubChem (CID 132592096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).