(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide

C12H15Cl2NO — CID 884870

IUPAC(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide
SMILESCCC[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-3-4-8(2)12(16)15-11-6-5-9(13)7-10(11)14/h5-8H,3-4H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyMLSHTWUWWSUIAI-QMMMGPOBSA-N
MW260.16 g/mol
LogP4.37
Rot. Bonds4

About (2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide

(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide (PubChem CID 884870) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is (2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide
PubChem CID884870
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide
SMILESCCC[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-3-4-8(2)12(16)15-11-6-5-9(13)7-10(11)14/h5-8H,3-4H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyMLSHTWUWWSUIAI-QMMMGPOBSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide 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

N-(2-chloro-4-methylphenyl)-2-methylpentanamide
CID 67710308
N-(2-bromo-5-chlorophenyl)-2-methylpentanamide
CID 81272725
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpentanamide
CID 879686
N-(2,4-difluorophenyl)-2-methylpentanamide
CID 2904798
4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide
CID 80542109
N-(2,4-dichlorophenyl)propanamide
CID 923083
3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide
CID 62670664
5-amino-2-(2-methylpentanoylamino)benzoic acid
CID 63115657
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
CID 2903868
2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide
CID 108502714

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide?
The IUPAC name of (2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide (CID 884870) is (2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide.
What is the SMILES notation for (2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide?
The canonical SMILES for (2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide is CCC[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide?
The InChIKey is MLSHTWUWWSUIAI-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-3-4-8(2)12(16)15-11-6-5-9(13)7-10(11)14/h5-8H,3-4H2,1-2H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide?
(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide has a molecular weight of 260.16 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide is sourced from PubChem (CID 884870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).