N-[2-(2-bromoacetyl)cyclohexyl]acetamide

C10H16BrNO2 — CID 104701398

IUPACN-[2-(2-bromoacetyl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCCCC1C(=O)CBr
InChIInChI=1S/C10H16BrNO2/c1-7(13)12-9-5-3-2-4-8(9)10(14)6-11/h8-9H,2-6H2,1H3,(H,12,13)
InChIKeyBVESHMWUDIRXMG-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.65
Rot. Bonds3

About N-[2-(2-bromoacetyl)cyclohexyl]acetamide

N-[2-(2-bromoacetyl)cyclohexyl]acetamide (PubChem CID 104701398) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is N-[2-(2-bromoacetyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-bromoacetyl)cyclohexyl]acetamide
PubChem CID104701398
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC NameN-[2-(2-bromoacetyl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCCCC1C(=O)CBr
InChIInChI=1S/C10H16BrNO2/c1-7(13)12-9-5-3-2-4-8(9)10(14)6-11/h8-9H,2-6H2,1H3,(H,12,13)
InChIKeyBVESHMWUDIRXMG-UHFFFAOYSA-N
XLogP1.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-(2-bromoacetyl)cycloheptyl]carbamate
CID 104701650
tert-butyl N-[2-(2-bromoacetyl)cyclohexyl]carbamate
CID 104701400
ethyl N-[2-(2-bromoacetyl)cycloheptyl]carbamate
CID 104701654
cis-(1R,2S)-2-acetamidocyclohexane-1-carboxylate
CID 9442541
2-bromo-1-[(1R,2R)-2-methylcyclohexyl]ethanone
CID 93494508
benzyl N-[2-(2-bromoacetyl)cyclohexyl]carbamate
CID 104701403
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
CID 172759321
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
N-[(2R)-2-chlorocyclohexyl]acetamide
CID 18526491
N-[(1S,2S)-2-ethylcycloheptyl]acetamide
CID 668218
methyl N-[(2R)-2-propanoylcyclohexyl]carbamate
CID 122592104

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoacetyl)cyclohexyl]acetamide?
The IUPAC name of N-[2-(2-bromoacetyl)cyclohexyl]acetamide (CID 104701398) is N-[2-(2-bromoacetyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[2-(2-bromoacetyl)cyclohexyl]acetamide?
The canonical SMILES for N-[2-(2-bromoacetyl)cyclohexyl]acetamide is CC(=O)NC1CCCCC1C(=O)CBr.
What is the InChIKey of N-[2-(2-bromoacetyl)cyclohexyl]acetamide?
The InChIKey is BVESHMWUDIRXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2/c1-7(13)12-9-5-3-2-4-8(9)10(14)6-11/h8-9H,2-6H2,1H3,(H,12,13).
What are the key properties of N-[2-(2-bromoacetyl)cyclohexyl]acetamide?
N-[2-(2-bromoacetyl)cyclohexyl]acetamide has a molecular weight of 262.15 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoacetyl)cyclohexyl]acetamide is sourced from PubChem (CID 104701398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).