1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-methylanilino)propan-1-one

C24H24ClNO3 — CID 132591655

IUPAC1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-methylanilino)propan-1-one
SMILESCOc1ccc(C(CC(=O)c2ccc(Cl)cc2)Nc2cccc(C)c2)cc1OC
InChIInChI=1S/C24H24ClNO3/c1-16-5-4-6-20(13-16)26-21(15-22(27)17-7-10-19(25)11-8-17)18-9-12-23(28-2)24(14-18)29-3/h4-14,21,26H,15H2,1-3H3
InChIKeyUZEOSIGQLTXZRF-UHFFFAOYSA-N
MW409.91 g/mol
LogP6.09
Rot. Bonds8

About 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-methylanilino)propan-1-one

1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-methylanilino)propan-1-one (PubChem CID 132591655) has the molecular formula C24H24ClNO3 and a molecular weight of 409.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-methylanilino)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-methylanilino)propan-1-one
PubChem CID132591655
Molecular FormulaC24H24ClNO3
Molecular Weight409.91 g/mol
Exact Mass409.14
IUPAC Name1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-methylanilino)propan-1-one
SMILESCOc1ccc(C(CC(=O)c2ccc(Cl)cc2)Nc2cccc(C)c2)cc1OC
InChIInChI=1S/C24H24ClNO3/c1-16-5-4-6-20(13-16)26-21(15-22(27)17-7-10-19(25)11-8-17)18-9-12-23(28-2)24(14-18)29-3/h4-14,21,26H,15H2,1-3H3
InChIKeyUZEOSIGQLTXZRF-UHFFFAOYSA-N
XLogP6.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.91
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-methylanilino)propan-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

1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-nitroanilino)propan-1-one
CID 132591657
3-(3-chloroanilino)-3-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
CID 132592112
3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
CID 132592096
(3S)-1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-(3-methylanilino)propan-1-one
CID 40978401
1-(3,4-dimethoxyphenyl)-3-(3-methylanilino)-3-(4-nitrophenyl)propan-1-one
CID 132592335
1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(4-nitroanilino)propan-1-one
CID 132591658
(3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one
CID 122397451
3-(4-bromoanilino)-3-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)propan-1-one
CID 132593632
3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 12996503
3-(3,4-dimethoxyphenyl)-3-(4-iodoanilino)-1-phenylpropan-1-one
CID 132592017
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-3-(4-ethylanilino)propan-1-one
CID 132592463
1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one
CID 132592454

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-methylanilino)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-methylanilino)propan-1-one (CID 132591655) is 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-methylanilino)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-methylanilino)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-methylanilino)propan-1-one is COc1ccc(C(CC(=O)c2ccc(Cl)cc2)Nc2cccc(C)c2)cc1OC.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-methylanilino)propan-1-one?
The InChIKey is UZEOSIGQLTXZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO3/c1-16-5-4-6-20(13-16)26-21(15-22(27)17-7-10-19(25)11-8-17)18-9-12-23(28-2)24(14-18)29-3/h4-14,21,26H,15H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-methylanilino)propan-1-one?
1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-methylanilino)propan-1-one has a molecular weight of 409.91 g/mol, XLogP of 6.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(3-methylanilino)propan-1-one is sourced from PubChem (CID 132591655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).