2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide

C15H20BrNO — CID 81002782

IUPAC2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC(C)C2CCCC2)c1
InChIInChI=1S/C15H20BrNO/c1-10-7-8-14(16)13(9-10)15(18)17-11(2)12-5-3-4-6-12/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)
InChIKeyLEPZLKKJWVIVMB-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.07
Rot. Bonds3

About 2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide

2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide (PubChem CID 81002782) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide
PubChem CID81002782
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC(C)C2CCCC2)c1
InChIInChI=1S/C15H20BrNO/c1-10-7-8-14(16)13(9-10)15(18)17-11(2)12-5-3-4-6-12/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)
InChIKeyLEPZLKKJWVIVMB-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide
CID 115769124
5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide
CID 65309722
2,4-dibromo-N-(1-cyclobutylethyl)benzamide
CID 103883323
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-5-methylbenzamide
CID 171385167
N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide
CID 80980301
4-bromo-N-(1-cyclohexylethyl)-3-hydroxybenzamide
CID 103873468
N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide
CID 80711780
methyl 2-[(2-bromo-5-methylbenzoyl)amino]propanoate
CID 81109488
2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide
CID 103855542
5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 65306796
N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide
CID 82828967
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylbenzamide
CID 81110423

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide (CID 81002782) is 2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NC(C)C2CCCC2)c1.
What is the InChIKey of 2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide?
The InChIKey is LEPZLKKJWVIVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-10-7-8-14(16)13(9-10)15(18)17-11(2)12-5-3-4-6-12/h7-9,11-12H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide?
2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide has a molecular weight of 310.24 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide is sourced from PubChem (CID 81002782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).