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

C12H9Br2FN2 — CID 62376625

IUPAC2-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine
SMILESNc1ccc(F)cc1Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H9Br2FN2/c13-7-1-4-11(9(14)5-7)17-12-6-8(15)2-3-10(12)16/h1-6,17H,16H2
InChIKeyKCWFSIQAQLQDED-UHFFFAOYSA-N
MW360.02 g/mol
LogP4.68
Rot. Bonds2

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

2-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine (PubChem CID 62376625) has the molecular formula C12H9Br2FN2 and a molecular weight of 360.02 g/mol. Its IUPAC name is 2-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine
PubChem CID62376625
Molecular FormulaC12H9Br2FN2
Molecular Weight360.02 g/mol
Exact Mass357.91
IUPAC Name2-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine
SMILESNc1ccc(F)cc1Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H9Br2FN2/c13-7-1-4-11(9(14)5-7)17-12-6-8(15)2-3-10(12)16/h1-6,17H,16H2
InChIKeyKCWFSIQAQLQDED-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-(2,4-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-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine
CID 55067874
2-N-(2-bromo-4-chlorophenyl)-4-fluorobenzene-1,2-diamine
CID 81262967
2-(2-amino-5-bromoanilino)-5-fluorobenzonitrile
CID 82014339
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-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide
CID 61472212
4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148755
4-bromo-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 29067383
2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine
CID 107526804
4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine
CID 107596728
1-N-(2-bromo-4-fluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63597815
8-N-(2-bromo-4-fluorophenyl)isoquinoline-5,8-diamine
CID 103137126

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine (CID 62376625) is 2-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine is Nc1ccc(F)cc1Nc1ccc(Br)cc1Br.
What is the InChIKey of 2-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine?
The InChIKey is KCWFSIQAQLQDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FN2/c13-7-1-4-11(9(14)5-7)17-12-6-8(15)2-3-10(12)16/h1-6,17H,16H2.
What are the key properties of 2-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine?
2-N-(2,4-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-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 62376625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).