N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide

C14H18BrNO — CID 2679466

IUPACN-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
SMILESCc1cc(NC(=O)CC2CCCC2)ccc1Br
InChIInChI=1S/C14H18BrNO/c1-10-8-12(6-7-13(10)15)16-14(17)9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,17)
InChIKeyPTOKVGJFQPCZPI-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.28
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide

N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide (PubChem CID 2679466) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
PubChem CID2679466
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
SMILESCc1cc(NC(=O)CC2CCCC2)ccc1Br
InChIInChI=1S/C14H18BrNO/c1-10-8-12(6-7-13(10)15)16-14(17)9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,17)
InChIKeyPTOKVGJFQPCZPI-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-amino-4-methylphenyl)-2-cyclohexylacetamide
CID 43209699
2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 113159571
5-[(2-cyclobutylacetyl)amino]-2-methylbenzoic acid
CID 113352851
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
[2-(4-bromo-3-methylanilino)-2-oxoethyl]-[(1R,2R)-2-methylcyclohexyl]azanium
CID 8890650
3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide
CID 113116671
N-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110859779
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853
N-(4-bromo-3-methylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703591
N-(3-amino-4-ethylphenyl)-2-cyclohexylacetamide
CID 43550224
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide
CID 61236329

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide (CID 2679466) is N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide is Cc1cc(NC(=O)CC2CCCC2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide?
The InChIKey is PTOKVGJFQPCZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-8-12(6-7-13(10)15)16-14(17)9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,17).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide?
N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide has a molecular weight of 296.21 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide is sourced from PubChem (CID 2679466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).