2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine

C12H9Br2FN2 — CID 55067874

IUPAC2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine
SMILESNc1ccc(F)cc1Nc1cc(Br)ccc1Br
InChIInChI=1S/C12H9Br2FN2/c13-7-1-3-9(14)11(5-7)17-12-6-8(15)2-4-10(12)16/h1-6,17H,16H2
InChIKeyJEXDVAWGJFDFGI-UHFFFAOYSA-N
MW360.02 g/mol
LogP4.68
Rot. Bonds2

About 2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine

2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine (PubChem CID 55067874) has the molecular formula C12H9Br2FN2 and a molecular weight of 360.02 g/mol. Its IUPAC name is 2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine
PubChem CID55067874
Molecular FormulaC12H9Br2FN2
Molecular Weight360.02 g/mol
Exact Mass357.91
IUPAC Name2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine
SMILESNc1ccc(F)cc1Nc1cc(Br)ccc1Br
InChIInChI=1S/C12H9Br2FN2/c13-7-1-3-9(14)11(5-7)17-12-6-8(15)2-4-10(12)16/h1-6,17H,16H2
InChIKeyJEXDVAWGJFDFGI-UHFFFAOYSA-N
XLogP4.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.02
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine 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-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine
CID 62376625
2-N-(5-bromo-2-methoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 55068109
4-bromo-2-N-(5-bromo-2-fluorophenyl)benzene-1,2-diamine
CID 65343677
2-(2-amino-5-bromoanilino)-5-fluorobenzonitrile
CID 82014339
1-N-(2-bromo-5-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 107634444
4-amino-3-(2,5-dibromoanilino)benzenesulfonamide
CID 82907244
4-N-(2-bromo-5-fluorophenyl)-2-methylbenzene-1,4-diamine
CID 107634431
2-N-(2-bromo-4-chlorophenyl)-4-fluorobenzene-1,2-diamine
CID 81262967
4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide
CID 107634456
2-amino-5-(2-bromo-5-fluoroanilino)benzamide
CID 107637874
3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-diamine
CID 54955676
2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine
CID 107526804

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine (CID 55067874) is 2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine is Nc1ccc(F)cc1Nc1cc(Br)ccc1Br.
What is the InChIKey of 2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine?
The InChIKey is JEXDVAWGJFDFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FN2/c13-7-1-3-9(14)11(5-7)17-12-6-8(15)2-4-10(12)16/h1-6,17H,16H2.
What are the key properties of 2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine?
2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine has a molecular weight of 360.02 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 55067874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).