5-chloro-N-cyclopropyl-N-methylpentanamide

C9H16ClNO — CID 43264877

IUPAC5-chloro-N-cyclopropyl-N-methylpentanamide
SMILESCN(C(=O)CCCCCl)C1CC1
InChIInChI=1S/C9H16ClNO/c1-11(8-5-6-8)9(12)4-2-3-7-10/h8H,2-7H2,1H3
InChIKeyUIUKPDWEQQNFQQ-UHFFFAOYSA-N
MW189.69 g/mol
LogP2.02
Rot. Bonds5

About 5-chloro-N-cyclopropyl-N-methylpentanamide

5-chloro-N-cyclopropyl-N-methylpentanamide (PubChem CID 43264877) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-N-methylpentanamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-N-methylpentanamide
PubChem CID43264877
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name5-chloro-N-cyclopropyl-N-methylpentanamide
SMILESCN(C(=O)CCCCCl)C1CC1
InChIInChI=1S/C9H16ClNO/c1-11(8-5-6-8)9(12)4-2-3-7-10/h8H,2-7H2,1H3
InChIKeyUIUKPDWEQQNFQQ-UHFFFAOYSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-chloro-N-cyclopropyl-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

Related Compounds

5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide
CID 54916159
N-cyclopropyl-4-hydroxy-N-methylbutanamide
CID 79203211
3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 43346623
5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide
CID 62546411
N-cyclopropyl-N-methyl-4-(methylamino)butanamide
CID 60842400
3-chloro-N-methyl-N-(thian-4-yl)propanamide
CID 121203597
N-(4-aminocyclohexyl)-N-methyloctanamide
CID 79121707
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
6-amino-N-cyclopentyl-N-methylhexanamide
CID 43267226
7-amino-N-cycloheptyl-N-methylheptanamide
CID 43614064
7-amino-N-cyclooctyl-N-methylheptanamide
CID 119763844
N-methyl-N-piperidin-4-ylheptanamide
CID 115736784

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-N-methylpentanamide?
The IUPAC name of 5-chloro-N-cyclopropyl-N-methylpentanamide (CID 43264877) is 5-chloro-N-cyclopropyl-N-methylpentanamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-N-methylpentanamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-N-methylpentanamide is CN(C(=O)CCCCCl)C1CC1.
What is the InChIKey of 5-chloro-N-cyclopropyl-N-methylpentanamide?
The InChIKey is UIUKPDWEQQNFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-11(8-5-6-8)9(12)4-2-3-7-10/h8H,2-7H2,1H3.
What are the key properties of 5-chloro-N-cyclopropyl-N-methylpentanamide?
5-chloro-N-cyclopropyl-N-methylpentanamide has a molecular weight of 189.69 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-N-methylpentanamide is sourced from PubChem (CID 43264877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).