3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-diamine

C12H9Br2FN2 — CID 54955676

IUPAC3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-diamine
SMILESNc1cc(F)cc(Nc2cc(Br)ccc2Br)c1
InChIInChI=1S/C12H9Br2FN2/c13-7-1-2-11(14)12(3-7)17-10-5-8(15)4-9(16)6-10/h1-6,17H,16H2
InChIKeyANXBPXPGVQKQTH-UHFFFAOYSA-N
MW360.02 g/mol
LogP4.68
Rot. Bonds2

About 3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-diamine

3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-diamine (PubChem CID 54955676) has the molecular formula C12H9Br2FN2 and a molecular weight of 360.02 g/mol. Its IUPAC name is 3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-diamine
PubChem CID54955676
Molecular FormulaC12H9Br2FN2
Molecular Weight360.02 g/mol
Exact Mass357.91
IUPAC Name3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-diamine
SMILESNc1cc(F)cc(Nc2cc(Br)ccc2Br)c1
InChIInChI=1S/C12H9Br2FN2/c13-7-1-2-11(14)12(3-7)17-10-5-8(15)4-9(16)6-10/h1-6,17H,16H2
InChIKeyANXBPXPGVQKQTH-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'}

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Related Compounds

3-N-(2-bromo-4-fluorophenyl)-5-fluorobenzene-1,3-diamine
CID 60877088
3-N-(4-bromo-2,5-difluorophenyl)-5-fluorobenzene-1,3-diamine
CID 107608961
3-N-(2-bromo-4-chlorophenyl)-5-fluorobenzene-1,3-diamine
CID 81262109
3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine
CID 107634380
2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine
CID 55067874
4-bromo-2-N-(3-chloro-5-fluorophenyl)benzene-1,2-diamine
CID 107363718
3-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,3-diamine
CID 65469461
5-fluoro-3-N-(2,4,5-trifluorophenyl)benzene-1,3-diamine
CID 62814503
3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112648174
2-amino-4-(2,5-dibromoanilino)benzenesulfonamide
CID 79467601
4-N-(2-bromo-5-fluorophenyl)-2-methylbenzene-1,4-diamine
CID 107634431
1-N-(5-bromo-2-methylphenyl)-2,6-difluorobenzene-1,4-diamine
CID 54902992

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-diamine?
The IUPAC name of 3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-diamine (CID 54955676) is 3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-diamine?
The canonical SMILES for 3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-diamine is Nc1cc(F)cc(Nc2cc(Br)ccc2Br)c1.
What is the InChIKey of 3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-diamine?
The InChIKey is ANXBPXPGVQKQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FN2/c13-7-1-2-11(14)12(3-7)17-10-5-8(15)4-9(16)6-10/h1-6,17H,16H2.
What are the key properties of 3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-diamine?
3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-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 3-N-(2,5-dibromophenyl)-5-fluorobenzene-1,3-diamine is sourced from PubChem (CID 54955676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).