2-bromo-N-(2-hydroxycyclohexyl)acetamide

C8H14BrNO2 — CID 63680498

IUPAC2-bromo-N-(2-hydroxycyclohexyl)acetamide
SMILESO=C(CBr)NC1CCCCC1O
InChIInChI=1S/C8H14BrNO2/c9-5-8(12)10-6-3-1-2-4-7(6)11/h6-7,11H,1-5H2,(H,10,12)
InChIKeySUMLWNIHBQQEKN-UHFFFAOYSA-N
MW236.11 g/mol
LogP0.80
Rot. Bonds2

About 2-bromo-N-(2-hydroxycyclohexyl)acetamide

2-bromo-N-(2-hydroxycyclohexyl)acetamide (PubChem CID 63680498) has the molecular formula C8H14BrNO2 and a molecular weight of 236.11 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxycyclohexyl)acetamide
PubChem CID63680498
Molecular FormulaC8H14BrNO2
Molecular Weight236.11 g/mol
Exact Mass235.02
IUPAC Name2-bromo-N-(2-hydroxycyclohexyl)acetamide
SMILESO=C(CBr)NC1CCCCC1O
InChIInChI=1S/C8H14BrNO2/c9-5-8(12)10-6-3-1-2-4-7(6)11/h6-7,11H,1-5H2,(H,10,12)
InChIKeySUMLWNIHBQQEKN-UHFFFAOYSA-N
XLogP0.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 50.80
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-(2-hydroxycyclopentyl)acetamide
CID 127002056
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
2-cyano-N-(2-hydroxycyclohexyl)acetamide
CID 62358723
2-(dimethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104969353
N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 62358678
2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide
CID 94414749
N-(2-hydroxycyclopentyl)-3-oxobutanamide
CID 127002121
2-bromo-N-(2-methylcyclopentyl)acetamide
CID 63681266
5-hydroxy-N-(2-hydroxycyclohexyl)pentanamide
CID 79199015
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107216783
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 104927390

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-bromo-N-(2-hydroxycyclohexyl)acetamide (CID 63680498) is 2-bromo-N-(2-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-hydroxycyclohexyl)acetamide is O=C(CBr)NC1CCCCC1O.
What is the InChIKey of 2-bromo-N-(2-hydroxycyclohexyl)acetamide?
The InChIKey is SUMLWNIHBQQEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO2/c9-5-8(12)10-6-3-1-2-4-7(6)11/h6-7,11H,1-5H2,(H,10,12).
What are the key properties of 2-bromo-N-(2-hydroxycyclohexyl)acetamide?
2-bromo-N-(2-hydroxycyclohexyl)acetamide has a molecular weight of 236.11 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 63680498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).