2-chloro-4-methylpentanamide

C6H12ClNO — CID 62224745

IUPAC2-chloro-4-methylpentanamide
SMILESCC(C)CC(Cl)C(N)=O
InChIInChI=1S/C6H12ClNO/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H2,8,9)
InChIKeyYERPQSRUJAVYPU-UHFFFAOYSA-N
MW149.62 g/mol
LogP1.13
Rot. Bonds3

About 2-chloro-4-methylpentanamide

2-chloro-4-methylpentanamide (PubChem CID 62224745) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 2-chloro-4-methylpentanamide.

Molecular Properties

Compound Name2-chloro-4-methylpentanamide
PubChem CID62224745
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name2-chloro-4-methylpentanamide
SMILESCC(C)CC(Cl)C(N)=O
InChIInChI=1S/C6H12ClNO/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H2,8,9)
InChIKeyYERPQSRUJAVYPU-UHFFFAOYSA-N
XLogP1.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylpentanamide?
The IUPAC name of 2-chloro-4-methylpentanamide (CID 62224745) is 2-chloro-4-methylpentanamide.
What is the SMILES notation for 2-chloro-4-methylpentanamide?
The canonical SMILES for 2-chloro-4-methylpentanamide is CC(C)CC(Cl)C(N)=O.
What is the InChIKey of 2-chloro-4-methylpentanamide?
The InChIKey is YERPQSRUJAVYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H2,8,9).
What are the key properties of 2-chloro-4-methylpentanamide?
2-chloro-4-methylpentanamide has a molecular weight of 149.62 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylpentanamide is sourced from PubChem (CID 62224745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).