2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide

C10H18ClNO2 — CID 62551130

IUPAC2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide
SMILESCC(Cl)C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C10H18ClNO2/c1-8(11)9(14)12-10(7-13)5-3-2-4-6-10/h8,13H,2-7H2,1H3,(H,12,14)
InChIKeyCUAASNSRFAEHDG-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.43
Rot. Bonds3

About 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide

2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide (PubChem CID 62551130) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide
PubChem CID62551130
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide
SMILESCC(Cl)C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C10H18ClNO2/c1-8(11)9(14)12-10(7-13)5-3-2-4-6-10/h8,13H,2-7H2,1H3,(H,12,14)
InChIKeyCUAASNSRFAEHDG-UHFFFAOYSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 107905156
2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 62551131
4-[[1-(hydroxymethyl)cyclopentyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498282
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 62520054
(2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide
CID 104873901
3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide
CID 62552043
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
CID 62520053
N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide
CID 62520197
3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid
CID 62520820
N-[1-(hydroxymethyl)cyclopentyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242231
2-(4-ethylphenyl)-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 110008494
(2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide
CID 104897811

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
The IUPAC name of 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide (CID 62551130) is 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide is CC(Cl)C(=O)NC1(CO)CCCCC1.
What is the InChIKey of 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
The InChIKey is CUAASNSRFAEHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-8(11)9(14)12-10(7-13)5-3-2-4-6-10/h8,13H,2-7H2,1H3,(H,12,14).
What are the key properties of 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide has a molecular weight of 219.71 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide is sourced from PubChem (CID 62551130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).