N-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide

C13H15BrClNO — CID 80662926

IUPACN-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide
SMILESO=C(Cc1ccccc1Cl)NC1CCCC1Br
InChIInChI=1S/C13H15BrClNO/c14-10-5-3-7-12(10)16-13(17)8-9-4-1-2-6-11(9)15/h1-2,4,6,10,12H,3,5,7-8H2,(H,16,17)
InChIKeyPLOAVEIHFKKTTM-UHFFFAOYSA-N
MW316.63 g/mol
LogP3.31
Rot. Bonds3

About N-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide

N-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide (PubChem CID 80662926) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide
PubChem CID80662926
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC NameN-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide
SMILESO=C(Cc1ccccc1Cl)NC1CCCC1Br
InChIInChI=1S/C13H15BrClNO/c14-10-5-3-7-12(10)16-13(17)8-9-4-1-2-6-11(9)15/h1-2,4,6,10,12H,3,5,7-8H2,(H,16,17)
InChIKeyPLOAVEIHFKKTTM-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 53.31
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

2-[[2-(2-chlorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64812051
2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 51166113
N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide
CID 113275396
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide
CID 100631226
N-(2-bromocyclohexyl)-2,6-dichlorobenzamide
CID 113275038
N-(2-bromocyclopentyl)-4-phenylbutanamide
CID 80663026
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
2-(2-chlorophenyl)-N-[(1R)-2-oxocyclopentyl]acetamide
CID 58413586
N-[2-[(2-chlorophenyl)methylcarbamoylamino]cyclohexyl]propanamide
CID 23761302
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
2-(2-chlorophenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide
CID 133265749

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide (CID 80662926) is N-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide is O=C(Cc1ccccc1Cl)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide?
The InChIKey is PLOAVEIHFKKTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO/c14-10-5-3-7-12(10)16-13(17)8-9-4-1-2-6-11(9)15/h1-2,4,6,10,12H,3,5,7-8H2,(H,16,17).
What are the key properties of N-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide?
N-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide has a molecular weight of 316.63 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 80662926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).