2-chloro-N-methylcyclopentane-1-carboxamide

C7H12ClNO — CID 170236386

IUPAC2-chloro-N-methylcyclopentane-1-carboxamide
SMILESCNC(=O)C1CCCC1Cl
InChIInChI=1S/C7H12ClNO/c1-9-7(10)5-3-2-4-6(5)8/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyNWVLYPGFRSSDNN-UHFFFAOYSA-N
MW161.63 g/mol
LogP1.14
Rot. Bonds1

About 2-chloro-N-methylcyclopentane-1-carboxamide

2-chloro-N-methylcyclopentane-1-carboxamide (PubChem CID 170236386) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 2-chloro-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methylcyclopentane-1-carboxamide
PubChem CID170236386
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name2-chloro-N-methylcyclopentane-1-carboxamide
SMILESCNC(=O)C1CCCC1Cl
InChIInChI=1S/C7H12ClNO/c1-9-7(10)5-3-2-4-6(5)8/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyNWVLYPGFRSSDNN-UHFFFAOYSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 51.14
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

cis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide
CID 131089330
1-[(1R,2R)-2-chlorocyclohexyl]ethanone
CID 130848700
2-amino-N,3-dimethylcyclohexane-1-carboxamide
CID 62776522
trans-(1R,2R)-2-[(2-chloro-2,2-difluoroacetyl)amino]-N-methylcyclohexane-1-carboxamide
CID 99697543
cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide
CID 118178176
trans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide
CID 97251779
N-methyl-2-(methylamino)cyclopropane-1-carboxamide
CID 134458689
cis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide
CID 89112285
2-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084193
cis-(1R,2S)-N-methyl-2-[[(1S,2S)-2-methylsulfonylcyclohexyl]amino]cyclohexane-1-carboxamide
CID 124856655
trans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide
CID 71513961
(3S)-3-(methylcarbamoyl)cyclohexane-1-carboxylic acid
CID 54034306

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-chloro-N-methylcyclopentane-1-carboxamide (CID 170236386) is 2-chloro-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-chloro-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-chloro-N-methylcyclopentane-1-carboxamide is CNC(=O)C1CCCC1Cl.
What is the InChIKey of 2-chloro-N-methylcyclopentane-1-carboxamide?
The InChIKey is NWVLYPGFRSSDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO/c1-9-7(10)5-3-2-4-6(5)8/h5-6H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-chloro-N-methylcyclopentane-1-carboxamide?
2-chloro-N-methylcyclopentane-1-carboxamide has a molecular weight of 161.63 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 170236386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).