2-chloro-N,N-diethylpentanamide

C9H18ClNO — CID 62224091

IUPAC2-chloro-N,N-diethylpentanamide
SMILESCCCC(Cl)C(=O)N(CC)CC
InChIInChI=1S/C9H18ClNO/c1-4-7-8(10)9(12)11(5-2)6-3/h8H,4-7H2,1-3H3
InChIKeyGZAJCICKTWBAAE-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.26
Rot. Bonds5

About 2-chloro-N,N-diethylpentanamide

2-chloro-N,N-diethylpentanamide (PubChem CID 62224091) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-chloro-N,N-diethylpentanamide.

Molecular Properties

Compound Name2-chloro-N,N-diethylpentanamide
PubChem CID62224091
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-chloro-N,N-diethylpentanamide
SMILESCCCC(Cl)C(=O)N(CC)CC
InChIInChI=1S/C9H18ClNO/c1-4-7-8(10)9(12)11(5-2)6-3/h8H,4-7H2,1-3H3
InChIKeyGZAJCICKTWBAAE-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N,N-diethylpentanamide 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

2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide
CID 91127971
2,2-dichloro-N,N-diethylacetamide
CID 141409453
2-chloro-N,N-diethyl-4-phenylbutanamide
CID 62880249
2-chloro-N,N-dipropylbutanamide
CID 121204586
2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide
CID 174887176
N,N-diethyl-2-(pentan-2-ylamino)propanamide
CID 43113164
N,N-diethyl-2-octyldodecanamide
CID 54517458
N,N-diethyl-2-hydroxy-3-sulfanylpropanamide
CID 86078182
N,N-diethyl-2-hydroxy-3-methylselanylpropanamide
CID 141469545
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
N-(3-aminopropyl)-N-ethyl-2-propylpentanamide
CID 82984398
N,N-diethyl-2-nitrohexanamide
CID 15581421

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethylpentanamide?
The IUPAC name of 2-chloro-N,N-diethylpentanamide (CID 62224091) is 2-chloro-N,N-diethylpentanamide.
What is the SMILES notation for 2-chloro-N,N-diethylpentanamide?
The canonical SMILES for 2-chloro-N,N-diethylpentanamide is CCCC(Cl)C(=O)N(CC)CC.
What is the InChIKey of 2-chloro-N,N-diethylpentanamide?
The InChIKey is GZAJCICKTWBAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-4-7-8(10)9(12)11(5-2)6-3/h8H,4-7H2,1-3H3.
What are the key properties of 2-chloro-N,N-diethylpentanamide?
2-chloro-N,N-diethylpentanamide has a molecular weight of 191.70 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethylpentanamide is sourced from PubChem (CID 62224091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).