3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid

C15H18BrNO4 — CID 63044376

IUPAC3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2CCCC(C(=O)O)C2)cc1Br
InChIInChI=1S/C15H18BrNO4/c1-21-13-6-5-9(8-12(13)16)14(18)17-11-4-2-3-10(7-11)15(19)20/h5-6,8,10-11H,2-4,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyOCFSRQNJIJLOLY-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.83
Rot. Bonds4

About 3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid

3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63044376) has the molecular formula C15H18BrNO4 and a molecular weight of 356.22 g/mol. Its IUPAC name is 3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63044376
Molecular FormulaC15H18BrNO4
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Name3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2CCCC(C(=O)O)C2)cc1Br
InChIInChI=1S/C15H18BrNO4/c1-21-13-6-5-9(8-12(13)16)14(18)17-11-4-2-3-10(7-11)15(19)20/h5-6,8,10-11H,2-4,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyOCFSRQNJIJLOLY-UHFFFAOYSA-N
XLogP2.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-bromo-4-methoxybenzoyl)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-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide
CID 55210410
cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675150
N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide
CID 61033826
3-bromo-4-methoxy-N-(1-oxothian-4-yl)benzamide
CID 113429210
3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043451
3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide
CID 62086482
3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide
CID 15943284
3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 28690073
3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 63043266
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
cis-(1S,3R)-3-[(3,4-diethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120674848
3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide
CID 64923164

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid (CID 63044376) is 3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid is COc1ccc(C(=O)NC2CCCC(C(=O)O)C2)cc1Br.
What is the InChIKey of 3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is OCFSRQNJIJLOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO4/c1-21-13-6-5-9(8-12(13)16)14(18)17-11-4-2-3-10(7-11)15(19)20/h5-6,8,10-11H,2-4,7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 356.22 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63044376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).