6-(2,6-dibromoanilino)hexanoic acid

C12H15Br2NO2 — CID 107599094

IUPAC6-(2,6-dibromoanilino)hexanoic acid
SMILESO=C(O)CCCCCNc1c(Br)cccc1Br
InChIInChI=1S/C12H15Br2NO2/c13-9-5-4-6-10(14)12(9)15-8-3-1-2-7-11(16)17/h4-6,15H,1-3,7-8H2,(H,16,17)
InChIKeyOYEQGNCGIPDACZ-UHFFFAOYSA-N
MW365.07 g/mol
LogP4.27
Rot. Bonds7

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

6-(2,6-dibromoanilino)hexanoic acid (PubChem CID 107599094) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is 6-(2,6-dibromoanilino)hexanoic acid.

Molecular Properties

Compound Name6-(2,6-dibromoanilino)hexanoic acid
PubChem CID107599094
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name6-(2,6-dibromoanilino)hexanoic acid
SMILESO=C(O)CCCCCNc1c(Br)cccc1Br
InChIInChI=1S/C12H15Br2NO2/c13-9-5-4-6-10(14)12(9)15-8-3-1-2-7-11(16)17/h4-6,15H,1-3,7-8H2,(H,16,17)
InChIKeyOYEQGNCGIPDACZ-UHFFFAOYSA-N
XLogP4.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(2,6-dibromoanilino)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

7-[(2,6-dibromophenyl)carbamoylamino]heptanoic acid
CID 107601826
5-(2-bromoanilino)pentanoic acid
CID 28972032
2,6-dibromo-N-decylaniline
CID 107599083
8-[(2-bromobenzoyl)amino]octanoic acid
CID 10807216
5-anilinopentanoic acid
CID 28972030
4-(2,6-difluoroanilino)butanoic acid
CID 28974618
6-(2-chloro-6-nitroanilino)hexanoic acid
CID 17174843
6-(2-bromo-4-carbamoylanilino)hexanoic acid
CID 82796914
7-[(5-bromo-2-pyridinyl)amino]heptanoic acid
CID 24701669
6-[(5-bromo-2-pyridinyl)amino]hexanoic acid
CID 24704054
5-(2,3-dichloroanilino)pentanoic acid
CID 28972138
7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid
CID 64588541

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dibromoanilino)hexanoic acid?
The IUPAC name of 6-(2,6-dibromoanilino)hexanoic acid (CID 107599094) is 6-(2,6-dibromoanilino)hexanoic acid.
What is the SMILES notation for 6-(2,6-dibromoanilino)hexanoic acid?
The canonical SMILES for 6-(2,6-dibromoanilino)hexanoic acid is O=C(O)CCCCCNc1c(Br)cccc1Br.
What is the InChIKey of 6-(2,6-dibromoanilino)hexanoic acid?
The InChIKey is OYEQGNCGIPDACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c13-9-5-4-6-10(14)12(9)15-8-3-1-2-7-11(16)17/h4-6,15H,1-3,7-8H2,(H,16,17).
What are the key properties of 6-(2,6-dibromoanilino)hexanoic acid?
6-(2,6-dibromoanilino)hexanoic acid has a molecular weight of 365.07 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dibromoanilino)hexanoic acid is sourced from PubChem (CID 107599094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).