4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine

C12H8Br2ClFN2 — CID 66112308

IUPAC4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine
SMILESNc1cc(Br)c(F)cc1Nc1cc(Br)ccc1Cl
InChIInChI=1S/C12H8Br2ClFN2/c13-6-1-2-8(15)11(3-6)18-12-5-9(16)7(14)4-10(12)17/h1-5,18H,17H2
InChIKeyIHGFAZRFXWGFHQ-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.33
Rot. Bonds2

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

4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine (PubChem CID 66112308) has the molecular formula C12H8Br2ClFN2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine
PubChem CID66112308
Molecular FormulaC12H8Br2ClFN2
Molecular Weight394.47 g/mol
Exact Mass391.87
IUPAC Name4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine
SMILESNc1cc(Br)c(F)cc1Nc1cc(Br)ccc1Cl
InChIInChI=1S/C12H8Br2ClFN2/c13-6-1-2-8(15)11(3-6)18-12-5-9(16)7(14)4-10(12)17/h1-5,18H,17H2
InChIKeyIHGFAZRFXWGFHQ-UHFFFAOYSA-N
XLogP5.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.33
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

4-bromo-1-N-(5-bromo-2-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 66111692
1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 102852474
4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine
CID 83082015
1-N-(4-bromo-2-methylphenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 66077776
4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 65342953
4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine
CID 62913398
2-N-(5-bromo-2-methylphenyl)-4,5-difluorobenzene-1,2-diamine
CID 112751793
4-bromo-2-N-(5-bromo-2-fluorophenyl)benzene-1,2-diamine
CID 65343677
4-bromo-5-fluoro-1-N-(2-iodophenyl)benzene-1,2-diamine
CID 66109712
1-N-(4-bromo-3-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 66078253
1-N-(4-bromo-2-chlorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589913
4-bromo-2-N-(2,4-dichlorophenyl)benzene-1,2-diamine
CID 65343558

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine?
The IUPAC name of 4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine (CID 66112308) is 4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine is Nc1cc(Br)c(F)cc1Nc1cc(Br)ccc1Cl.
What is the InChIKey of 4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine?
The InChIKey is IHGFAZRFXWGFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2ClFN2/c13-6-1-2-8(15)11(3-6)18-12-5-9(16)7(14)4-10(12)17/h1-5,18H,17H2.
What are the key properties of 4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine?
4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine has a molecular weight of 394.47 g/mol, XLogP of 5.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 66112308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).