N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide

C14H18BrNO2 — CID 62416412

IUPACN-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide
SMILESCOc1ccc(Br)c(NC(=O)CC2CCCC2)c1
InChIInChI=1S/C14H18BrNO2/c1-18-11-6-7-12(15)13(9-11)16-14(17)8-10-4-2-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,16,17)
InChIKeyQTBDRDPGDYYLSJ-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.98
Rot. Bonds4

About N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide

N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide (PubChem CID 62416412) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide
PubChem CID62416412
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide
SMILESCOc1ccc(Br)c(NC(=O)CC2CCCC2)c1
InChIInChI=1S/C14H18BrNO2/c1-18-11-6-7-12(15)13(9-11)16-14(17)8-10-4-2-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,16,17)
InChIKeyQTBDRDPGDYYLSJ-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103707213
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N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
CID 62780708
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
N-(2,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969570
1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone
CID 54920032
N-(2-bromo-5-methoxyphenyl)pentanamide
CID 62416800
N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178935
2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82768541
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
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CID 3008382

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide (CID 62416412) is N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide is COc1ccc(Br)c(NC(=O)CC2CCCC2)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide?
The InChIKey is QTBDRDPGDYYLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-18-11-6-7-12(15)13(9-11)16-14(17)8-10-4-2-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,16,17).
What are the key properties of N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide?
N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide has a molecular weight of 312.21 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide is sourced from PubChem (CID 62416412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).