N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide

C15H20BrNO — CID 82757064

IUPACN-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide
SMILESCc1ccc(Br)c(NC(=O)CCC2CCCC2)c1
InChIInChI=1S/C15H20BrNO/c1-11-6-8-13(16)14(10-11)17-15(18)9-7-12-4-2-3-5-12/h6,8,10,12H,2-5,7,9H2,1H3,(H,17,18)
InChIKeyVREQJKFMMQCLEF-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.67
Rot. Bonds4

About N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide

N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide (PubChem CID 82757064) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide
PubChem CID82757064
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide
SMILESCc1ccc(Br)c(NC(=O)CCC2CCCC2)c1
InChIInChI=1S/C15H20BrNO/c1-11-6-8-13(16)14(10-11)17-15(18)9-7-12-4-2-3-5-12/h6,8,10,12H,2-5,7,9H2,1H3,(H,17,18)
InChIKeyVREQJKFMMQCLEF-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
CID 131913766
3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725
N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide
CID 957346
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]propanamide
CID 82746748
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide
CID 60803312
N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide
CID 79767583
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide
CID 60813037
N-(2-bromo-5-methylphenyl)-2-piperidin-4-ylacetamide
CID 82757301
N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857210
4-amino-N-(2-bromo-5-methylphenyl)butanamide
CID 82757472
2-(azetidin-3-yl)-N-(2-bromo-5-methylphenyl)acetamide
CID 82756641
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide (CID 82757064) is N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide is Cc1ccc(Br)c(NC(=O)CCC2CCCC2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide?
The InChIKey is VREQJKFMMQCLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11-6-8-13(16)14(10-11)17-15(18)9-7-12-4-2-3-5-12/h6,8,10,12H,2-5,7,9H2,1H3,(H,17,18).
What are the key properties of N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide?
N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide has a molecular weight of 310.23 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide is sourced from PubChem (CID 82757064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).