2-(2-bromo-3-chloroanilino)hexanoic acid

C12H15BrClNO2 — CID 103480450

IUPAC2-(2-bromo-3-chloroanilino)hexanoic acid
SMILESCCCCC(Nc1cccc(Cl)c1Br)C(=O)O
InChIInChI=1S/C12H15BrClNO2/c1-2-3-6-10(12(16)17)15-9-7-4-5-8(14)11(9)13/h4-5,7,10,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyMIIPTYZVTPDPGL-UHFFFAOYSA-N
MW320.61 g/mol
LogP4.16
Rot. Bonds6

About 2-(2-bromo-3-chloroanilino)hexanoic acid

2-(2-bromo-3-chloroanilino)hexanoic acid (PubChem CID 103480450) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is 2-(2-bromo-3-chloroanilino)hexanoic acid.

Molecular Properties

Compound Name2-(2-bromo-3-chloroanilino)hexanoic acid
PubChem CID103480450
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name2-(2-bromo-3-chloroanilino)hexanoic acid
SMILESCCCCC(Nc1cccc(Cl)c1Br)C(=O)O
InChIInChI=1S/C12H15BrClNO2/c1-2-3-6-10(12(16)17)15-9-7-4-5-8(14)11(9)13/h4-5,7,10,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyMIIPTYZVTPDPGL-UHFFFAOYSA-N
XLogP4.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-3-chloroanilino)hexanoic 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-(2-chloroanilino)nonanoic acid
CID 63524442
2-(3-bromo-2-methylanilino)hexanoic acid
CID 107636470
2-(2,6-dibromoanilino)hexanoic acid
CID 107601030
2-(2-methylsulfanylanilino)hexanoic acid
CID 107645239
2-(2-chloro-5-methylanilino)hexanoic acid
CID 107636534
2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide
CID 103478871
2-[(3-bromo-2-fluorobenzoyl)amino]hexanoic acid
CID 107948998
2-(2,6-dibromoanilino)pentanoic acid
CID 107598874
2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 103480767
(2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid
CID 107564789
2-(2-phenylanilino)decanoic acid
CID 172791149
2-(2-propylsulfonylanilino)hexanoic acid
CID 43470254

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-chloroanilino)hexanoic acid?
The IUPAC name of 2-(2-bromo-3-chloroanilino)hexanoic acid (CID 103480450) is 2-(2-bromo-3-chloroanilino)hexanoic acid.
What is the SMILES notation for 2-(2-bromo-3-chloroanilino)hexanoic acid?
The canonical SMILES for 2-(2-bromo-3-chloroanilino)hexanoic acid is CCCCC(Nc1cccc(Cl)c1Br)C(=O)O.
What is the InChIKey of 2-(2-bromo-3-chloroanilino)hexanoic acid?
The InChIKey is MIIPTYZVTPDPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-2-3-6-10(12(16)17)15-9-7-4-5-8(14)11(9)13/h4-5,7,10,15H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 2-(2-bromo-3-chloroanilino)hexanoic acid?
2-(2-bromo-3-chloroanilino)hexanoic acid has a molecular weight of 320.61 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-chloroanilino)hexanoic acid is sourced from PubChem (CID 103480450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).