3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid

C13H12BrClFNO3 — CID 107609255

IUPAC3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2c(Cl)cc(F)cc2Br)C1
InChIInChI=1S/C13H12BrClFNO3/c14-9-4-8(16)5-10(15)11(9)17-12(18)6-1-2-7(3-6)13(19)20/h4-7H,1-3H2,(H,17,18)(H,19,20)
InChIKeyQSKQZIKNHZGYSE-UHFFFAOYSA-N
MW364.60 g/mol
LogP3.68
Rot. Bonds3

About 3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 107609255) has the molecular formula C13H12BrClFNO3 and a molecular weight of 364.60 g/mol. Its IUPAC name is 3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID107609255
Molecular FormulaC13H12BrClFNO3
Molecular Weight364.60 g/mol
Exact Mass362.97
IUPAC Name3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2c(Cl)cc(F)cc2Br)C1
InChIInChI=1S/C13H12BrClFNO3/c14-9-4-8(16)5-10(15)11(9)17-12(18)6-1-2-7(3-6)13(19)20/h4-7H,1-3H2,(H,17,18)(H,19,20)
InChIKeyQSKQZIKNHZGYSE-UHFFFAOYSA-N
XLogP3.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.60
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 107609255) is 3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2c(Cl)cc(F)cc2Br)C1.
What is the InChIKey of 3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is QSKQZIKNHZGYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClFNO3/c14-9-4-8(16)5-10(15)11(9)17-12(18)6-1-2-7(3-6)13(19)20/h4-7H,1-3H2,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 364.60 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107609255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).