2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid

C14H16BrNO3 — CID 5019976

IUPAC2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H16BrNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)(H,18,19)
InChIKeyRNUCHTKNUCXXPR-UHFFFAOYSA-N
MW326.19 g/mol
LogP3.28
Rot. Bonds3

About 2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 5019976) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID5019976
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H16BrNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)(H,18,19)
InChIKeyRNUCHTKNUCXXPR-UHFFFAOYSA-N
XLogP3.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3-bromophenyl)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

2-((3,4-Dimethylphenyl)carbamoyl)cyclohexanecarboxylic acid
CID 2732796
2-[(2-Bromophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
CID 2834848
2-[(2-Fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2856339
2-[(4-Biphenylylamino)carbonyl]cyclohexanecarboxylic acid
CID 2883992
3-(Phenylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 2883110
4-Anilino-2-benzyl-4-oxobutanoic acid
CID 4521468
4'-Bromohexahydrophthalanilic acid
CID 306178
2-[(4-Anilinoanilino)carbonyl]cyclohexanecarboxylic acid
CID 696808
(1S,2R)-2-{N-[4-(acetylamino)phenyl]carbamoyl}cyclohexanecarboxylic acid
CID 730262
[2-(3-Bromoanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2429698
2-[(4-Ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2856357
2-[1-[2-(4-Bromoanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 4047712

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 5019976) is 2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is RNUCHTKNUCXXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 326.19 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 5019976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).