2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide

C12H15Cl2NO — CID 110487685

IUPAC2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-12(2,11(16)15(3)4)9-6-5-8(13)7-10(9)14/h5-7H,1-4H3
InChIKeyMJZPBYVZSUNIOP-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.36
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide

2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide (PubChem CID 110487685) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide
PubChem CID110487685
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-12(2,11(16)15(3)4)9-6-5-8(13)7-10(9)14/h5-7H,1-4H3
InChIKeyMJZPBYVZSUNIOP-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide 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 2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide (CID 110487685) is 2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide is CN(C)C(=O)C(C)(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide?
The InChIKey is MJZPBYVZSUNIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-12(2,11(16)15(3)4)9-6-5-8(13)7-10(9)14/h5-7H,1-4H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide?
2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide has a molecular weight of 260.16 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide is sourced from PubChem (CID 110487685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).