1-(4-chlorophenyl)-2-(2,5-dimethylanilino)ethanone

C16H16ClNO — CID 788619

IUPAC1-(4-chlorophenyl)-2-(2,5-dimethylanilino)ethanone
SMILESCc1ccc(C)c(NCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO/c1-11-3-4-12(2)15(9-11)18-10-16(19)13-5-7-14(17)8-6-13/h3-9,18H,10H2,1-2H3
InChIKeyILJCNGSHKONNGT-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.25
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(2,5-dimethylanilino)ethanone

1-(4-chlorophenyl)-2-(2,5-dimethylanilino)ethanone (PubChem CID 788619) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,5-dimethylanilino)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,5-dimethylanilino)ethanone
PubChem CID788619
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name1-(4-chlorophenyl)-2-(2,5-dimethylanilino)ethanone
SMILESCc1ccc(C)c(NCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO/c1-11-3-4-12(2)15(9-11)18-10-16(19)13-5-7-14(17)8-6-13/h3-9,18H,10H2,1-2H3
InChIKeyILJCNGSHKONNGT-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-2-(2,5-dimethylanilino)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,5-dimethylanilino)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,5-dimethylanilino)ethanone (CID 788619) is 1-(4-chlorophenyl)-2-(2,5-dimethylanilino)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,5-dimethylanilino)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,5-dimethylanilino)ethanone is Cc1ccc(C)c(NCC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,5-dimethylanilino)ethanone?
The InChIKey is ILJCNGSHKONNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-11-3-4-12(2)15(9-11)18-10-16(19)13-5-7-14(17)8-6-13/h3-9,18H,10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2,5-dimethylanilino)ethanone?
1-(4-chlorophenyl)-2-(2,5-dimethylanilino)ethanone has a molecular weight of 273.76 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,5-dimethylanilino)ethanone is sourced from PubChem (CID 788619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).