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

C14H18BrNO — CID 2707548

IUPACN-(2-bromo-4-methylphenyl)-2-cyclopentylacetamide
SMILESCc1ccc(NC(=O)CC2CCCC2)c(Br)c1
InChIInChI=1S/C14H18BrNO/c1-10-6-7-13(12(15)8-10)16-14(17)9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,17)
InChIKeyNVTDKDSJNZSVEW-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.28
Rot. Bonds3

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

N-(2-bromo-4-methylphenyl)-2-cyclopentylacetamide (PubChem CID 2707548) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-cyclopentylacetamide
PubChem CID2707548
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-(2-bromo-4-methylphenyl)-2-cyclopentylacetamide
SMILESCc1ccc(NC(=O)CC2CCCC2)c(Br)c1
InChIInChI=1S/C14H18BrNO/c1-10-6-7-13(12(15)8-10)16-14(17)9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,17)
InChIKeyNVTDKDSJNZSVEW-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

Acetamide, N-(2-bromo-4-methylphenyl)-
CID 69200
N-(4-Bromo-2-methylphenyl)acetamide
CID 222277
1-(2-bromo-4-methylphenyl)-1H-pyrrole-2,5-dione
CID 880055
Benzamide, N-(2-bromophenyl)-
CID 101311
N-(4-bromo-2-ethylphenyl)acetamide
CID 2735223
N-(3-bromophenyl)cyclopentanecarboxamide
CID 897912
N-[(2-bromo-4-methylphenyl)carbamothioyl]cyclohexanecarboxamide
CID 2362359
N-[(2-bromo-4-methylphenyl)carbamothioyl]cyclopentanecarboxamide
CID 2375679
N-(3-bromophenyl)-2-cyclopentylacetamide
CID 2403164
3-bromo-N-(4-propan-2-ylphenyl)benzamide
CID 765231
(2E)-N-(2-Bromo-4-methylphenyl)-3-phenylprop-2-enamide
CID 774831
N-(4-bromophenyl)cyclopentanecarboxamide
CID 531887

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-cyclopentylacetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-cyclopentylacetamide (CID 2707548) is N-(2-bromo-4-methylphenyl)-2-cyclopentylacetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-cyclopentylacetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-cyclopentylacetamide is Cc1ccc(NC(=O)CC2CCCC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-cyclopentylacetamide?
The InChIKey is NVTDKDSJNZSVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-6-7-13(12(15)8-10)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-(2-bromo-4-methylphenyl)-2-cyclopentylacetamide?
N-(2-bromo-4-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-(2-bromo-4-methylphenyl)-2-cyclopentylacetamide is sourced from PubChem (CID 2707548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).