2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid

C14H14BrCl2NO3 — CID 60942132

IUPAC2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H14BrCl2NO3/c15-7-5-10(16)12(11(17)6-7)18-13(19)8-3-1-2-4-9(8)14(20)21/h5-6,8-9H,1-4H2,(H,18,19)(H,20,21)
InChIKeyRWGNWRALVSWLJB-UHFFFAOYSA-N
MW395.08 g/mol
LogP4.59
Rot. Bonds3

About 2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 60942132) has the molecular formula C14H14BrCl2NO3 and a molecular weight of 395.08 g/mol. Its IUPAC name is 2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID60942132
Molecular FormulaC14H14BrCl2NO3
Molecular Weight395.08 g/mol
Exact Mass392.95
IUPAC Name2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H14BrCl2NO3/c15-7-5-10(16)12(11(17)6-7)18-13(19)8-3-1-2-4-9(8)14(20)21/h5-6,8-9H,1-4H2,(H,18,19)(H,20,21)
InChIKeyRWGNWRALVSWLJB-UHFFFAOYSA-N
XLogP4.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.08
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4-bromo-2,6-dichlorophenyl)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

Related Compounds

cis-(1S,2R)-2-[(2,4,6-trichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 42300958
(1S,6R)-6-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962097
2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816884
trans-(1S,2S)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 888025
N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714914
(2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide
CID 28993479
trans-(1R,2R)-2-[(3,4-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 763889
cis-(1S,2R)-2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093284
N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide
CID 43126702
2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 75115965
N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide
CID 68711978
trans-(1S,2S)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 786077

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 60942132) is 2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is RWGNWRALVSWLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrCl2NO3/c15-7-5-10(16)12(11(17)6-7)18-13(19)8-3-1-2-4-9(8)14(20)21/h5-6,8-9H,1-4H2,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 395.08 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60942132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).