3-bromo-N-cyclohexylpropanamide

C9H16BrNO — CID 4665126

IUPAC3-bromo-N-cyclohexylpropanamide
SMILESO=C(CCBr)NC1CCCCC1
InChIInChI=1S/C9H16BrNO/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)
InChIKeyPHWGXHKYNXZVIB-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.22
Rot. Bonds3

About 3-bromo-N-cyclohexylpropanamide

3-bromo-N-cyclohexylpropanamide (PubChem CID 4665126) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is 3-bromo-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-bromo-N-cyclohexylpropanamide
PubChem CID4665126
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC Name3-bromo-N-cyclohexylpropanamide
SMILESO=C(CCBr)NC1CCCCC1
InChIInChI=1S/C9H16BrNO/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)
InChIKeyPHWGXHKYNXZVIB-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.22
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

N-Cyclohexylbutyramide
CID 221801
N-Cyclohexylpropanamide
CID 234740
2-bromo-N-cyclohexylacetamide
CID 246266
Mercury, chloro(2-(3-bromopropionamido)cyclohexyl)-, (E)-
CID 52705
Bromacetamide, N-(hept-2-yl)-
CID 63679476
2-bromo-N-cyclohexyl-3-methylbutanamide
CID 15437231
beta-bromopropionic acid N-cyclopentylamide
CID 21911847
n,n'-Hexane-1,6-diylbis(3-bromopropanamide)
CID 244277
N-(4-Bromo-cyclohexyl)-acetamide
CID 316467
2-Bromo-N-cyclohexylpropanamide
CID 16481436
4-bromo-N-heptylbutanamide
CID 141176667
4-bromo-N-hexylbutanamide
CID 141673299

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclohexylpropanamide?
The IUPAC name of 3-bromo-N-cyclohexylpropanamide (CID 4665126) is 3-bromo-N-cyclohexylpropanamide.
What is the SMILES notation for 3-bromo-N-cyclohexylpropanamide?
The canonical SMILES for 3-bromo-N-cyclohexylpropanamide is O=C(CCBr)NC1CCCCC1.
What is the InChIKey of 3-bromo-N-cyclohexylpropanamide?
The InChIKey is PHWGXHKYNXZVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12).
What are the key properties of 3-bromo-N-cyclohexylpropanamide?
3-bromo-N-cyclohexylpropanamide has a molecular weight of 234.14 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclohexylpropanamide is sourced from PubChem (CID 4665126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).