3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid

C14H15BrClNO3 — CID 63788537

IUPAC3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)Nc2ccc(Br)cc2Cl)C1
InChIInChI=1S/C14H15BrClNO3/c15-10-4-5-12(11(16)7-10)17-13(18)8-2-1-3-9(6-8)14(19)20/h4-5,7-9H,1-3,6H2,(H,17,18)(H,19,20)
InChIKeyNONBCPSTNPPMCO-UHFFFAOYSA-N
MW360.64 g/mol
LogP3.93
Rot. Bonds3

About 3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid

3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63788537) has the molecular formula C14H15BrClNO3 and a molecular weight of 360.64 g/mol. Its IUPAC name is 3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63788537
Molecular FormulaC14H15BrClNO3
Molecular Weight360.64 g/mol
Exact Mass358.99
IUPAC Name3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)Nc2ccc(Br)cc2Cl)C1
InChIInChI=1S/C14H15BrClNO3/c15-10-4-5-12(11(16)7-10)17-13(18)8-2-1-3-9(6-8)14(19)20/h4-5,7-9H,1-3,6H2,(H,17,18)(H,19,20)
InChIKeyNONBCPSTNPPMCO-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63788537) is 3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(C(=O)Nc2ccc(Br)cc2Cl)C1.
What is the InChIKey of 3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is NONBCPSTNPPMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO3/c15-10-4-5-12(11(16)7-10)17-13(18)8-2-1-3-9(6-8)14(19)20/h4-5,7-9H,1-3,6H2,(H,17,18)(H,19,20).
What are the key properties of 3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 360.64 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63788537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).