2-chloro-N-(3-methylcyclopentyl)propanamide

C9H16ClNO — CID 114544468

IUPAC2-chloro-N-(3-methylcyclopentyl)propanamide
SMILESCC1CCC(NC(=O)C(C)Cl)C1
InChIInChI=1S/C9H16ClNO/c1-6-3-4-8(5-6)11-9(12)7(2)10/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyKHDSVGHSCWFJTQ-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.92
Rot. Bonds2

About 2-chloro-N-(3-methylcyclopentyl)propanamide

2-chloro-N-(3-methylcyclopentyl)propanamide (PubChem CID 114544468) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-chloro-N-(3-methylcyclopentyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylcyclopentyl)propanamide
PubChem CID114544468
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name2-chloro-N-(3-methylcyclopentyl)propanamide
SMILESCC1CCC(NC(=O)C(C)Cl)C1
InChIInChI=1S/C9H16ClNO/c1-6-3-4-8(5-6)11-9(12)7(2)10/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyKHDSVGHSCWFJTQ-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(3-methylcyclopentyl)propanamide
CID 114541432
2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide
CID 165385919
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958
3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoyl]butanoic acid
CID 114550582
3-amino-N-(3-methylcyclopentyl)butanamide
CID 114546157
1-amino-3-(3-methylcyclopentyl)urea
CID 114549381
2-methyl-N-(3-methylcyclopentyl)cyclopropane-1-carboxamide
CID 114549485
1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea
CID 100656188
3-methyl-N-(3-methylcyclopentyl)pentanamide
CID 114875354
2-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)propanamide
CID 165458219
N-(3,6-dimethylcycloheptyl)acetamide
CID 89468976
(2S)-2-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 70253137

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylcyclopentyl)propanamide?
The IUPAC name of 2-chloro-N-(3-methylcyclopentyl)propanamide (CID 114544468) is 2-chloro-N-(3-methylcyclopentyl)propanamide.
What is the SMILES notation for 2-chloro-N-(3-methylcyclopentyl)propanamide?
The canonical SMILES for 2-chloro-N-(3-methylcyclopentyl)propanamide is CC1CCC(NC(=O)C(C)Cl)C1.
What is the InChIKey of 2-chloro-N-(3-methylcyclopentyl)propanamide?
The InChIKey is KHDSVGHSCWFJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-6-3-4-8(5-6)11-9(12)7(2)10/h6-8H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-chloro-N-(3-methylcyclopentyl)propanamide?
2-chloro-N-(3-methylcyclopentyl)propanamide has a molecular weight of 189.69 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylcyclopentyl)propanamide is sourced from PubChem (CID 114544468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).