2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

C15H18BrNO3 — CID 107571596

IUPAC2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(NC(=O)C2CCCC2C(=O)O)cc(C)c1Br
InChIInChI=1S/C15H18BrNO3/c1-8-6-10(7-9(2)13(8)16)17-14(18)11-4-3-5-12(11)15(19)20/h6-7,11-12H,3-5H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLYRPFSDDUCVGBJ-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.51
Rot. Bonds3

About 2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 107571596) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID107571596
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(NC(=O)C2CCCC2C(=O)O)cc(C)c1Br
InChIInChI=1S/C15H18BrNO3/c1-8-6-10(7-9(2)13(8)16)17-14(18)11-4-3-5-12(11)15(19)20/h6-7,11-12H,3-5H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLYRPFSDDUCVGBJ-UHFFFAOYSA-N
XLogP3.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107577238
2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 75115965
2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360982
trans-(1S,2S)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 888025
2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2856466
cis-(1S,2R)-2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093284
N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013635
1-(4-bromo-3,5-dimethylphenyl)-3-cyclobutylurea
CID 103582018
trans-(1S,2S)-2-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 991046
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
trans-(1S,2S)-2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 792081
(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
CID 103582033

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 107571596) is 2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is Cc1cc(NC(=O)C2CCCC2C(=O)O)cc(C)c1Br.
What is the InChIKey of 2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is LYRPFSDDUCVGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3/c1-8-6-10(7-9(2)13(8)16)17-14(18)11-4-3-5-12(11)15(19)20/h6-7,11-12H,3-5H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 340.22 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107571596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).