N-[(2-bromocyclohexyl)methyl]acetamide

C9H16BrNO — CID 114312171

IUPACN-[(2-bromocyclohexyl)methyl]acetamide
SMILESCC(=O)NCC1CCCCC1Br
InChIInChI=1S/C9H16BrNO/c1-7(12)11-6-8-4-2-3-5-9(8)10/h8-9H,2-6H2,1H3,(H,11,12)
InChIKeyUNNOXYRFRGMHNG-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.08
Rot. Bonds2

About N-[(2-bromocyclohexyl)methyl]acetamide

N-[(2-bromocyclohexyl)methyl]acetamide (PubChem CID 114312171) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is N-[(2-bromocyclohexyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-bromocyclohexyl)methyl]acetamide
PubChem CID114312171
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC NameN-[(2-bromocyclohexyl)methyl]acetamide
SMILESCC(=O)NCC1CCCCC1Br
InChIInChI=1S/C9H16BrNO/c1-7(12)11-6-8-4-2-3-5-9(8)10/h8-9H,2-6H2,1H3,(H,11,12)
InChIKeyUNNOXYRFRGMHNG-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-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide
CID 114312233
N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide
CID 114312260
N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide
CID 114313732
N-[(2-bromocyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 104522412
N-[(2-bromocyclohexyl)methyl]-5-methyloxolane-2-carboxamide
CID 114312330
tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate
CID 114313805
N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 114312352
4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide
CID 113275135
N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide
CID 113275097
N-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide
CID 114313788
N-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide
CID 5014737
N-[(2-methoxycyclopentyl)methyl]acetamide
CID 130918496

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclohexyl)methyl]acetamide?
The IUPAC name of N-[(2-bromocyclohexyl)methyl]acetamide (CID 114312171) is N-[(2-bromocyclohexyl)methyl]acetamide.
What is the SMILES notation for N-[(2-bromocyclohexyl)methyl]acetamide?
The canonical SMILES for N-[(2-bromocyclohexyl)methyl]acetamide is CC(=O)NCC1CCCCC1Br.
What is the InChIKey of N-[(2-bromocyclohexyl)methyl]acetamide?
The InChIKey is UNNOXYRFRGMHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c1-7(12)11-6-8-4-2-3-5-9(8)10/h8-9H,2-6H2,1H3,(H,11,12).
What are the key properties of N-[(2-bromocyclohexyl)methyl]acetamide?
N-[(2-bromocyclohexyl)methyl]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-[(2-bromocyclohexyl)methyl]acetamide is sourced from PubChem (CID 114312171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).