1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine

C12H9BrFIN2 — CID 66093745

IUPAC1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine
SMILESNc1ccc(Nc2cc(Br)ccc2F)c(I)c1
InChIInChI=1S/C12H9BrFIN2/c13-7-1-3-9(14)12(5-7)17-11-4-2-8(16)6-10(11)15/h1-6,17H,16H2
InChIKeyZNHHFLCZTQAHGW-UHFFFAOYSA-N
MW407.02 g/mol
LogP4.52
Rot. Bonds2

About 1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine

1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine (PubChem CID 66093745) has the molecular formula C12H9BrFIN2 and a molecular weight of 407.02 g/mol. Its IUPAC name is 1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine
PubChem CID66093745
Molecular FormulaC12H9BrFIN2
Molecular Weight407.02 g/mol
Exact Mass405.90
IUPAC Name1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine
SMILESNc1ccc(Nc2cc(Br)ccc2F)c(I)c1
InChIInChI=1S/C12H9BrFIN2/c13-7-1-3-9(14)12(5-7)17-11-4-2-8(16)6-10(11)15/h1-6,17H,16H2
InChIKeyZNHHFLCZTQAHGW-UHFFFAOYSA-N
XLogP4.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.02
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(5-bromo-2-fluoroanilino)benzoic acid
CID 54888186
4-bromo-2-N-(5-bromo-2-fluorophenyl)benzene-1,2-diamine
CID 65343677
1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine
CID 66094766
2-bromo-1-N-(5-bromo-2-iodophenyl)benzene-1,4-diamine
CID 114258648
1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine
CID 66094560
5-bromo-2-(5-bromo-2-fluoroanilino)benzenecarbothioamide
CID 114891364
3-N-(4-bromo-2-fluorophenyl)-4-methylbenzene-1,3-diamine
CID 62590139
2-amino-6-(5-bromo-2-fluoroanilino)-3-fluorobenzoic acid
CID 83215104
4-N-(5-bromo-2-fluorophenyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 43555542
2-(5-bromo-2-fluoroanilino)benzenecarbothioamide
CID 43555873
1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine
CID 107634251
2-N-(5-bromo-2-fluorophenyl)-3-fluorobenzene-1,2-diamine
CID 112740455

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine?
The IUPAC name of 1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine (CID 66093745) is 1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine?
The canonical SMILES for 1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine is Nc1ccc(Nc2cc(Br)ccc2F)c(I)c1.
What is the InChIKey of 1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine?
The InChIKey is ZNHHFLCZTQAHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFIN2/c13-7-1-3-9(14)12(5-7)17-11-4-2-8(16)6-10(11)15/h1-6,17H,16H2.
What are the key properties of 1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine?
1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine has a molecular weight of 407.02 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine is sourced from PubChem (CID 66093745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).