2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid

C15H18BrNO4 — CID 107729315

IUPAC2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1cc(Br)ccc1O
InChIInChI=1S/C15H18BrNO4/c16-10-6-7-12(18)11(8-10)14(19)17-13(15(20)21)9-4-2-1-3-5-9/h6-9,13,18H,1-5H2,(H,17,19)(H,20,21)
InChIKeyNSABLNLTFSGJNV-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.92
Rot. Bonds4

About 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid

2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid (PubChem CID 107729315) has the molecular formula C15H18BrNO4 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid
PubChem CID107729315
Molecular FormulaC15H18BrNO4
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Name2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1cc(Br)ccc1O
InChIInChI=1S/C15H18BrNO4/c16-10-6-7-12(18)11(8-10)14(19)17-13(15(20)21)9-4-2-1-3-5-9/h6-9,13,18H,1-5H2,(H,17,19)(H,20,21)
InChIKeyNSABLNLTFSGJNV-UHFFFAOYSA-N
XLogP2.92
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic 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-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid
CID 115297243
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide
CID 113235026
2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid
CID 61013926
2-[(3-bromo-5-methylbenzoyl)amino]-2-cyclohexylacetic acid
CID 104850715
2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid
CID 54901538
5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927973
(2S)-2-[(5-bromo-2-hydroxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 107729323
5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide
CID 65309722
5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
CID 103711996
3-[(5-bromo-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107729349
2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid
CID 107971371
2-cyclohexyl-2-[(3,5-dichlorobenzoyl)amino]acetic acid
CID 61014510

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid?
The IUPAC name of 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid (CID 107729315) is 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid.
What is the SMILES notation for 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid?
The canonical SMILES for 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid is O=C(NC(C(=O)O)C1CCCCC1)c1cc(Br)ccc1O.
What is the InChIKey of 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid?
The InChIKey is NSABLNLTFSGJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO4/c16-10-6-7-12(18)11(8-10)14(19)17-13(15(20)21)9-4-2-1-3-5-9/h6-9,13,18H,1-5H2,(H,17,19)(H,20,21).
What are the key properties of 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid?
2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid has a molecular weight of 356.22 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid is sourced from PubChem (CID 107729315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).