N-(2-chloro-4-methylphenyl)-2-methylpentanamide

C13H18ClNO — CID 67710308

IUPACN-(2-chloro-4-methylphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-12-7-6-9(2)8-11(12)14/h6-8,10H,4-5H2,1-3H3,(H,15,16)
InChIKeyVYHBQRCWIAPZOD-UHFFFAOYSA-N
MW239.75 g/mol
LogP4.02
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-2-methylpentanamide

N-(2-chloro-4-methylphenyl)-2-methylpentanamide (PubChem CID 67710308) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-methylpentanamide
PubChem CID67710308
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-(2-chloro-4-methylphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-12-7-6-9(2)8-11(12)14/h6-8,10H,4-5H2,1-3H3,(H,15,16)
InChIKeyVYHBQRCWIAPZOD-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-chloro-4-methylphenyl)-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

3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide
CID 62670664
(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide
CID 884870
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82706265
(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride
CID 119262651
(2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 884269
2-[(2-chloro-4-methylphenyl)carbamoylamino]hexanoic acid
CID 61196684
(2S)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967933
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967931
1-(2-chloro-4-methylphenyl)-3-ethylurea
CID 21161481
2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide
CID 43146433
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-methylpentanamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-methylpentanamide (CID 67710308) is N-(2-chloro-4-methylphenyl)-2-methylpentanamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-methylpentanamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1ccc(C)cc1Cl.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-methylpentanamide?
The InChIKey is VYHBQRCWIAPZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-12-7-6-9(2)8-11(12)14/h6-8,10H,4-5H2,1-3H3,(H,15,16).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-methylpentanamide?
N-(2-chloro-4-methylphenyl)-2-methylpentanamide has a molecular weight of 239.75 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-methylpentanamide is sourced from PubChem (CID 67710308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).