2-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine

C12H9Br2ClN2 — CID 107596513

IUPAC2-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2c(Br)cccc2Br)c(Cl)c1
InChIInChI=1S/C12H9Br2ClN2/c13-8-2-1-3-9(14)12(8)17-11-5-4-7(16)6-10(11)15/h1-6,17H,16H2
InChIKeyMAKYGWBQYQBLMT-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.19
Rot. Bonds2

About 2-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine

2-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine (PubChem CID 107596513) has the molecular formula C12H9Br2ClN2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine
PubChem CID107596513
Molecular FormulaC12H9Br2ClN2
Molecular Weight376.48 g/mol
Exact Mass373.88
IUPAC Name2-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2c(Br)cccc2Br)c(Cl)c1
InChIInChI=1S/C12H9Br2ClN2/c13-8-2-1-3-9(14)12(8)17-11-5-4-7(16)6-10(11)15/h1-6,17H,16H2
InChIKeyMAKYGWBQYQBLMT-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-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 107596454
1-N-(4-bromo-2,6-difluorophenyl)-2-chlorobenzene-1,4-diamine
CID 65468110
1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine
CID 107596742
2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine
CID 103477453
2,6-dibromo-N-(2,4-dibromophenyl)aniline
CID 101290135
2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 43148771
1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 103477514
1-N-(2-bromo-6-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 107596688
1-N-(2,6-dichlorophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 65469470
2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
CID 82815883
1-N-(2,6-dichlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 65468899
4-(2-bromophenyl)-3-chloroaniline
CID 107615953

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine (CID 107596513) is 2-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine is Nc1ccc(Nc2c(Br)cccc2Br)c(Cl)c1.
What is the InChIKey of 2-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine?
The InChIKey is MAKYGWBQYQBLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2/c13-8-2-1-3-9(14)12(8)17-11-5-4-7(16)6-10(11)15/h1-6,17H,16H2.
What are the key properties of 2-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine?
2-chloro-1-N-(2,6-dibromophenyl)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-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine is sourced from PubChem (CID 107596513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).