N-[3-(bromomethyl)cyclohexyl]acetamide

C9H16BrNO — CID 130538222

IUPACN-[3-(bromomethyl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCCC(CBr)C1
InChIInChI=1S/C9H16BrNO/c1-7(12)11-9-4-2-3-8(5-9)6-10/h8-9H,2-6H2,1H3,(H,11,12)
InChIKeyFMJQWAHNMXULKE-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.08
Rot. Bonds2

About N-[3-(bromomethyl)cyclohexyl]acetamide

N-[3-(bromomethyl)cyclohexyl]acetamide (PubChem CID 130538222) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is N-[3-(bromomethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)cyclohexyl]acetamide
PubChem CID130538222
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC NameN-[3-(bromomethyl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCCC(CBr)C1
InChIInChI=1S/C9H16BrNO/c1-7(12)11-9-4-2-3-8(5-9)6-10/h8-9H,2-6H2,1H3,(H,11,12)
InChIKeyFMJQWAHNMXULKE-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.08
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-[3-(2-methylbutyl)cyclohexyl]acetamide
CID 142366490
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
N-[(1R,3S)-3-hydroxycyclohexyl]acetamide
CID 121286290
N-[(1R,3R)-3-hydroxycyclohexyl]acetamide
CID 130005028
N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide
CID 139573748
N-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide
CID 112752908
N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide
CID 112752910
N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide
CID 131102398
N-[3-(bromomethyl)cyclohexyl]-2,3-difluorobenzamide
CID 112752885
2-(3-acetamidocyclobutyl)acetic acid
CID 154928575
[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid
CID 166709107

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)cyclohexyl]acetamide?
The IUPAC name of N-[3-(bromomethyl)cyclohexyl]acetamide (CID 130538222) is N-[3-(bromomethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[3-(bromomethyl)cyclohexyl]acetamide?
The canonical SMILES for N-[3-(bromomethyl)cyclohexyl]acetamide is CC(=O)NC1CCCC(CBr)C1.
What is the InChIKey of N-[3-(bromomethyl)cyclohexyl]acetamide?
The InChIKey is FMJQWAHNMXULKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c1-7(12)11-9-4-2-3-8(5-9)6-10/h8-9H,2-6H2,1H3,(H,11,12).
What are the key properties of N-[3-(bromomethyl)cyclohexyl]acetamide?
N-[3-(bromomethyl)cyclohexyl]acetamide has a molecular weight of 234.14 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)cyclohexyl]acetamide is sourced from PubChem (CID 130538222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).