N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide

C13H16BrNO — CID 110604732

IUPACN-(3-bromo-5-methylphenyl)cyclopentanecarboxamide
SMILESCc1cc(Br)cc(NC(=O)C2CCCC2)c1
InChIInChI=1S/C13H16BrNO/c1-9-6-11(14)8-12(7-9)15-13(16)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyCPZPFVFAVAZUKN-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.89
Rot. Bonds2

About N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide

N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide (PubChem CID 110604732) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)cyclopentanecarboxamide
PubChem CID110604732
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC NameN-(3-bromo-5-methylphenyl)cyclopentanecarboxamide
SMILESCc1cc(Br)cc(NC(=O)C2CCCC2)c1
InChIInChI=1S/C13H16BrNO/c1-9-6-11(14)8-12(7-9)15-13(16)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyCPZPFVFAVAZUKN-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-bromo-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107577284
1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide
CID 110671730
N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide
CID 124505704
N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 104938731
N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 104938577
2-(aminomethyl)-N-(3-bromo-5-methylphenyl)cyclohexane-1-carboxamide
CID 107583536
N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide (CID 110604732) is N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide is Cc1cc(Br)cc(NC(=O)C2CCCC2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide?
The InChIKey is CPZPFVFAVAZUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-9-6-11(14)8-12(7-9)15-13(16)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide?
N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide has a molecular weight of 282.18 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide is sourced from PubChem (CID 110604732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).