3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid

C14H16BrNO3 — CID 63043451

IUPAC3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1cccc(Br)c1
InChIInChI=1S/C14H16BrNO3/c15-11-5-1-3-9(7-11)13(17)16-12-6-2-4-10(8-12)14(18)19/h1,3,5,7,10,12H,2,4,6,8H2,(H,16,17)(H,18,19)
InChIKeyGYYNCZZHXHRDCK-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.82
Rot. Bonds3

About 3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid

3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63043451) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is 3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63043451
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1cccc(Br)c1
InChIInChI=1S/C14H16BrNO3/c15-11-5-1-3-9(7-11)13(17)16-12-6-2-4-10(8-12)14(18)19/h1,3,5,7,10,12H,2,4,6,8H2,(H,16,17)(H,18,19)
InChIKeyGYYNCZZHXHRDCK-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(3-bromobenzoyl)amino]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

3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044355
3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043138
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
3-[(5-bromo-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107729349
3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044376
cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320556
3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 63043266
3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470115
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid (CID 63043451) is 3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCCC(C(=O)O)C1)c1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is GYYNCZZHXHRDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c15-11-5-1-3-9(7-11)13(17)16-12-6-2-4-10(8-12)14(18)19/h1,3,5,7,10,12H,2,4,6,8H2,(H,16,17)(H,18,19).
What are the key properties of 3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid?
3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 326.19 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).