2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

C14H15BrClNO3 — CID 114391211

IUPAC2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)Nc2ccc(Cl)cc2Br)C1
InChIInChI=1S/C14H15BrClNO3/c1-7-4-9(10(5-7)14(19)20)13(18)17-12-3-2-8(16)6-11(12)15/h2-3,6-7,9-10H,4-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyOUZUNEGASIHXCT-UHFFFAOYSA-N
MW360.64 g/mol
LogP3.79
Rot. Bonds3

About 2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114391211) has the molecular formula C14H15BrClNO3 and a molecular weight of 360.64 g/mol. Its IUPAC name is 2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114391211
Molecular FormulaC14H15BrClNO3
Molecular Weight360.64 g/mol
Exact Mass358.99
IUPAC Name2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)Nc2ccc(Cl)cc2Br)C1
InChIInChI=1S/C14H15BrClNO3/c1-7-4-9(10(5-7)14(19)20)13(18)17-12-3-2-8(16)6-11(12)15/h2-3,6-7,9-10H,4-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyOUZUNEGASIHXCT-UHFFFAOYSA-N
XLogP3.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270465
N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 81271769
4-methyl-2-[(2,4,5-trifluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390949
4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide
CID 81263521
(1S,6R)-6-[(2-bromo-5-chlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 103775279
N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779794
3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81281055
2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 107618657
cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93366184
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
2-[(3,5-dichloro-4-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 107571616
4-methyl-2-[(3-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390373

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114391211) is 2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)Nc2ccc(Cl)cc2Br)C1.
What is the InChIKey of 2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is OUZUNEGASIHXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO3/c1-7-4-9(10(5-7)14(19)20)13(18)17-12-3-2-8(16)6-11(12)15/h2-3,6-7,9-10H,4-5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 360.64 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).