3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one

C24H23Cl2NO2 — CID 132593520

IUPAC3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one
SMILESCCOc1ccc(NC(CC(=O)c2ccc(C)cc2)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C24H23Cl2NO2/c1-3-29-20-11-9-19(10-12-20)27-23(18-8-13-21(25)22(26)14-18)15-24(28)17-6-4-16(2)5-7-17/h4-14,23,27H,3,15H2,1-2H3
InChIKeyLFMRNFVMYNNYJN-UHFFFAOYSA-N
MW428.36 g/mol
LogP7.13
Rot. Bonds8

About 3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one

3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one (PubChem CID 132593520) has the molecular formula C24H23Cl2NO2 and a molecular weight of 428.36 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one
PubChem CID132593520
Molecular FormulaC24H23Cl2NO2
Molecular Weight428.36 g/mol
Exact Mass427.11
IUPAC Name3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one
SMILESCCOc1ccc(NC(CC(=O)c2ccc(C)cc2)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C24H23Cl2NO2/c1-3-29-20-11-9-19(10-12-20)27-23(18-8-13-21(25)22(26)14-18)15-24(28)17-6-4-16(2)5-7-17/h4-14,23,27H,3,15H2,1-2H3
InChIKeyLFMRNFVMYNNYJN-UHFFFAOYSA-N
XLogP7.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.36
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)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

3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one
CID 132593499
3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 132592048
3-(3,4-dichlorophenyl)-3-(4-iodoanilino)-1-(4-methoxyphenyl)propan-1-one
CID 132592182
(3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 7290250
3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one
CID 132593466
3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 132592185
3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-(4-iodoanilino)propan-1-one
CID 132593634
3-(4-ethoxyphenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
CID 132592101
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753
3-(4-chlorophenyl)-3-(4-iodoanilino)-1-(4-methylphenyl)propan-1-one
CID 132593475
3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 132593528
3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-1-one
CID 132592634

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one (CID 132593520) is 3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one is CCOc1ccc(NC(CC(=O)c2ccc(C)cc2)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one?
The InChIKey is LFMRNFVMYNNYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2NO2/c1-3-29-20-11-9-19(10-12-20)27-23(18-8-13-21(25)22(26)14-18)15-24(28)17-6-4-16(2)5-7-17/h4-14,23,27H,3,15H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one?
3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one has a molecular weight of 428.36 g/mol, XLogP of 7.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 132593520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).