2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine

C12H9Br2ClN2 — CID 103477453

IUPAC2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2cccc(Cl)c2Br)c(Br)c1
InChIInChI=1S/C12H9Br2ClN2/c13-8-6-7(16)4-5-10(8)17-11-3-1-2-9(15)12(11)14/h1-6,17H,16H2
InChIKeyPUTLHZJHRBRZFF-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.19
Rot. Bonds2

About 2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine

2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine (PubChem CID 103477453) has the molecular formula C12H9Br2ClN2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine
PubChem CID103477453
Molecular FormulaC12H9Br2ClN2
Molecular Weight376.48 g/mol
Exact Mass373.88
IUPAC Name2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2cccc(Cl)c2Br)c(Br)c1
InChIInChI=1S/C12H9Br2ClN2/c13-8-6-7(16)4-5-10(8)17-11-3-1-2-9(15)12(11)14/h1-6,17H,16H2
InChIKeyPUTLHZJHRBRZFF-UHFFFAOYSA-N
XLogP5.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.19
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

1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 103477514
1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine
CID 103477400
ethyl 5-amino-2-(2-bromo-3-chloroanilino)benzoate
CID 103481240
2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine
CID 103477533
2-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine
CID 107596513
5-N-(2-bromo-3-chlorophenyl)pyridine-3,5-diamine
CID 103481979
1-N-(2-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067265
4-(2-bromo-3-chloroanilino)-3-fluorobenzenecarbothioamide
CID 103479633
2-(4-amino-2-bromoanilino)-4-chlorobenzonitrile
CID 64914992
2-bromo-1-N-(3-chloro-5-methylphenyl)benzene-1,4-diamine
CID 134512576
5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide
CID 103477113
4-(2-bromo-3-chloroanilino)-2,3-difluorobenzenecarbothioamide
CID 107935337

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine?
The IUPAC name of 2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine (CID 103477453) is 2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine?
The canonical SMILES for 2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine is Nc1ccc(Nc2cccc(Cl)c2Br)c(Br)c1.
What is the InChIKey of 2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine?
The InChIKey is PUTLHZJHRBRZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2/c13-8-6-7(16)4-5-10(8)17-11-3-1-2-9(15)12(11)14/h1-6,17H,16H2.
What are the key properties of 2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine?
2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine has a molecular weight of 376.48 g/mol, XLogP of 5.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine is sourced from PubChem (CID 103477453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).