5-chloro-N-(2-hydroxypropyl)-N-methylpentanamide

C9H18ClNO2 — CID 62333921

IUPAC5-chloro-N-(2-hydroxypropyl)-N-methylpentanamide
SMILESCC(O)CN(C)C(=O)CCCCCl
InChIInChI=1S/C9H18ClNO2/c1-8(12)7-11(2)9(13)5-3-4-6-10/h8,12H,3-7H2,1-2H3
InChIKeyPQQUJLZAQKCPES-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.23
Rot. Bonds6

About 5-chloro-N-(2-hydroxypropyl)-N-methylpentanamide

5-chloro-N-(2-hydroxypropyl)-N-methylpentanamide (PubChem CID 62333921) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxypropyl)-N-methylpentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxypropyl)-N-methylpentanamide
PubChem CID62333921
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name5-chloro-N-(2-hydroxypropyl)-N-methylpentanamide
SMILESCC(O)CN(C)C(=O)CCCCCl
InChIInChI=1S/C9H18ClNO2/c1-8(12)7-11(2)9(13)5-3-4-6-10/h8,12H,3-7H2,1-2H3
InChIKeyPQQUJLZAQKCPES-UHFFFAOYSA-N
XLogP1.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(2-hydroxypropyl)-N-methylpentanamide 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 5-chloro-N-(2-hydroxypropyl)-N-methylpentanamide?
The IUPAC name of 5-chloro-N-(2-hydroxypropyl)-N-methylpentanamide (CID 62333921) is 5-chloro-N-(2-hydroxypropyl)-N-methylpentanamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxypropyl)-N-methylpentanamide?
The canonical SMILES for 5-chloro-N-(2-hydroxypropyl)-N-methylpentanamide is CC(O)CN(C)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(2-hydroxypropyl)-N-methylpentanamide?
The InChIKey is PQQUJLZAQKCPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-8(12)7-11(2)9(13)5-3-4-6-10/h8,12H,3-7H2,1-2H3.
What are the key properties of 5-chloro-N-(2-hydroxypropyl)-N-methylpentanamide?
5-chloro-N-(2-hydroxypropyl)-N-methylpentanamide has a molecular weight of 207.70 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxypropyl)-N-methylpentanamide is sourced from PubChem (CID 62333921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).