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

C10H18BrNO2 — CID 107905156

IUPAC2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide
SMILESCC(Br)C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C10H18BrNO2/c1-8(11)9(14)12-10(7-13)5-3-2-4-6-10/h8,13H,2-7H2,1H3,(H,12,14)
InChIKeyVTGLILTZYBQQJM-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.58
Rot. Bonds3

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

2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide (PubChem CID 107905156) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide
PubChem CID107905156
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Name2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide
SMILESCC(Br)C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C10H18BrNO2/c1-8(11)9(14)12-10(7-13)5-3-2-4-6-10/h8,13H,2-7H2,1H3,(H,12,14)
InChIKeyVTGLILTZYBQQJM-UHFFFAOYSA-N
XLogP1.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.58
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]-3-methylbutanamide
CID 62551131
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106297187
2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62551130
4-[[1-(hydroxymethyl)cyclopentyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498282
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 62520054
1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
CID 59902421
(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
2-bromo-N-(1-cyanocycloheptyl)propanamide
CID 107903353

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
The IUPAC name of 2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide (CID 107905156) is 2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide.
What is the SMILES notation for 2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
The canonical SMILES for 2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide is CC(Br)C(=O)NC1(CO)CCCCC1.
What is the InChIKey of 2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
The InChIKey is VTGLILTZYBQQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/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-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide has a molecular weight of 264.16 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide is sourced from PubChem (CID 107905156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).