2-bromo-N-(4-cyclohexyloxyphenyl)acetamide

C14H18BrNO2 — CID 23624715

IUPAC2-bromo-N-(4-cyclohexyloxyphenyl)acetamide
SMILESO=C(CBr)Nc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C14H18BrNO2/c15-10-14(17)16-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,16,17)
InChIKeyFUNPXMZFQVVWEX-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.73
Rot. Bonds4

About 2-bromo-N-(4-cyclohexyloxyphenyl)acetamide

2-bromo-N-(4-cyclohexyloxyphenyl)acetamide (PubChem CID 23624715) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-bromo-N-(4-cyclohexyloxyphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(4-cyclohexyloxyphenyl)acetamide
PubChem CID23624715
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name2-bromo-N-(4-cyclohexyloxyphenyl)acetamide
SMILESO=C(CBr)Nc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C14H18BrNO2/c15-10-14(17)16-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,16,17)
InChIKeyFUNPXMZFQVVWEX-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.73
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

3-bromo-N-(4-cyclopentyloxyphenyl)propanamide
CID 113385178
2-chloro-N-(4-cyclopentyloxyphenyl)acetamide
CID 39356793
N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 3026194
N-(4-cyclopentyloxyphenyl)-4-hydroxypentanamide
CID 79200161
2-(4-cyclopentyloxyanilino)-N-phenylacetamide
CID 39998941
6-amino-N-(4-cyclopentyloxyphenyl)hexanamide
CID 43706244
1-amino-N-(4-cyclopentyloxyphenyl)cyclohexane-1-carboxamide
CID 119284690
2-hydroxyethyl N-(4-cyclopentyloxyphenyl)carbamate
CID 79346417
N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 38455253
(2S,5R)-5-(aminomethyl)-N-(4-cyclohexyloxyphenyl)oxolane-2-carboxamide
CID 120793998
N-(4-cyclopentyloxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 30220186
N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 36567839

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-cyclohexyloxyphenyl)acetamide?
The IUPAC name of 2-bromo-N-(4-cyclohexyloxyphenyl)acetamide (CID 23624715) is 2-bromo-N-(4-cyclohexyloxyphenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(4-cyclohexyloxyphenyl)acetamide?
The canonical SMILES for 2-bromo-N-(4-cyclohexyloxyphenyl)acetamide is O=C(CBr)Nc1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 2-bromo-N-(4-cyclohexyloxyphenyl)acetamide?
The InChIKey is FUNPXMZFQVVWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-10-14(17)16-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,16,17).
What are the key properties of 2-bromo-N-(4-cyclohexyloxyphenyl)acetamide?
2-bromo-N-(4-cyclohexyloxyphenyl)acetamide has a molecular weight of 312.21 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-cyclohexyloxyphenyl)acetamide is sourced from PubChem (CID 23624715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).