2-(2,6-dibromoanilino)hexanoic acid

C12H15Br2NO2 — CID 107601030

IUPAC2-(2,6-dibromoanilino)hexanoic acid
SMILESCCCCC(Nc1c(Br)cccc1Br)C(=O)O
InChIInChI=1S/C12H15Br2NO2/c1-2-3-7-10(12(16)17)15-11-8(13)5-4-6-9(11)14/h4-6,10,15H,2-3,7H2,1H3,(H,16,17)
InChIKeyHXWCEKJTNYYRMO-UHFFFAOYSA-N
MW365.07 g/mol
LogP4.27
Rot. Bonds6

About 2-(2,6-dibromoanilino)hexanoic acid

2-(2,6-dibromoanilino)hexanoic acid (PubChem CID 107601030) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is 2-(2,6-dibromoanilino)hexanoic acid.

Molecular Properties

Compound Name2-(2,6-dibromoanilino)hexanoic acid
PubChem CID107601030
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name2-(2,6-dibromoanilino)hexanoic acid
SMILESCCCCC(Nc1c(Br)cccc1Br)C(=O)O
InChIInChI=1S/C12H15Br2NO2/c1-2-3-7-10(12(16)17)15-11-8(13)5-4-6-9(11)14/h4-6,10,15H,2-3,7H2,1H3,(H,16,17)
InChIKeyHXWCEKJTNYYRMO-UHFFFAOYSA-N
XLogP4.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dibromoanilino)pentanoic acid
CID 107598874
2-(3-bromo-2-methylanilino)hexanoic acid
CID 107636470
2-(2,6-dibromoanilino)butanoic acid
CID 107597732
2-[(3-bromo-2-pyridinyl)amino]hexanoic acid
CID 122060294
2-[(3-bromo-2-fluorobenzoyl)amino]hexanoic acid
CID 107948998
2-(2-bromo-3-chloroanilino)hexanoic acid
CID 103480450
2-(3-methylanilino)heptanoic acid
CID 54890661
2-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]hexanoic acid
CID 61420536
2-(2-methylsulfanylanilino)hexanoic acid
CID 107645239
2-(4-bromoanilino)octanoic acid
CID 55223557
2-[(2-bromophenyl)methylcarbamoylamino]hexanoic acid
CID 61413925
6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromoanilino)hexanoic acid?
The IUPAC name of 2-(2,6-dibromoanilino)hexanoic acid (CID 107601030) is 2-(2,6-dibromoanilino)hexanoic acid.
What is the SMILES notation for 2-(2,6-dibromoanilino)hexanoic acid?
The canonical SMILES for 2-(2,6-dibromoanilino)hexanoic acid is CCCCC(Nc1c(Br)cccc1Br)C(=O)O.
What is the InChIKey of 2-(2,6-dibromoanilino)hexanoic acid?
The InChIKey is HXWCEKJTNYYRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c1-2-3-7-10(12(16)17)15-11-8(13)5-4-6-9(11)14/h4-6,10,15H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 2-(2,6-dibromoanilino)hexanoic acid?
2-(2,6-dibromoanilino)hexanoic acid has a molecular weight of 365.07 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromoanilino)hexanoic acid is sourced from PubChem (CID 107601030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).