N-(3-chloro-4-methylphenyl)-2-methylpentanamide

C13H18ClNO — CID 16826

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

About N-(3-chloro-4-methylphenyl)-2-methylpentanamide

N-(3-chloro-4-methylphenyl)-2-methylpentanamide (PubChem CID 16826) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-methylpentanamide
PubChem CID16826
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-(3-chloro-4-methylphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16)
InChIKeyWGVWLKXZBUVUAM-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-methylpentanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-methylpentanamide (CID 16826) is N-(3-chloro-4-methylphenyl)-2-methylpentanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-methylpentanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-methylpentanamide?
The InChIKey is WGVWLKXZBUVUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-methylpentanamide?
N-(3-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-(3-chloro-4-methylphenyl)-2-methylpentanamide is sourced from PubChem (CID 16826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).