1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine

C12H9BrCl2N2 — CID 103477400

IUPAC1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine
SMILESNc1c(Cl)cccc1Nc1cccc(Cl)c1Br
InChIInChI=1S/C12H9BrCl2N2/c13-11-7(14)3-1-5-9(11)17-10-6-2-4-8(15)12(10)16/h1-6,17H,16H2
InChIKeyRIBGEOYJOKKADF-UHFFFAOYSA-N
MW332.03 g/mol
LogP5.08
Rot. Bonds2

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

1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine (PubChem CID 103477400) has the molecular formula C12H9BrCl2N2 and a molecular weight of 332.03 g/mol. Its IUPAC name is 1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine
PubChem CID103477400
Molecular FormulaC12H9BrCl2N2
Molecular Weight332.03 g/mol
Exact Mass329.93
IUPAC Name1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine
SMILESNc1c(Cl)cccc1Nc1cccc(Cl)c1Br
InChIInChI=1S/C12H9BrCl2N2/c13-11-7(14)3-1-5-9(11)17-10-6-2-4-8(15)12(10)16/h1-6,17H,16H2
InChIKeyRIBGEOYJOKKADF-UHFFFAOYSA-N
XLogP5.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.03
LogP ≤ 55.08
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

2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine
CID 103477453
3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine
CID 104834042
3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine
CID 104834035
1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 103477514
3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine
CID 104834056
3-chloro-1-N-(2,4,5-trifluorophenyl)benzene-1,2-diamine
CID 104834471
3-chloro-1-N-[2-(dimethylamino)phenyl]benzene-1,2-diamine
CID 106759458
4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine
CID 103481957
5-N-(2-bromo-3-chlorophenyl)pyridine-3,5-diamine
CID 103481979
3-chloro-1-N-(2,4-difluorophenyl)benzene-1,2-diamine
CID 104834051
2-(2-bromo-3-chloroanilino)benzoic acid
CID 103480389
4-(2-bromo-3-chloroanilino)-2,3-difluorobenzenecarbothioamide
CID 107935337

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine?
The IUPAC name of 1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine (CID 103477400) is 1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine is Nc1c(Cl)cccc1Nc1cccc(Cl)c1Br.
What is the InChIKey of 1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine?
The InChIKey is RIBGEOYJOKKADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2/c13-11-7(14)3-1-5-9(11)17-10-6-2-4-8(15)12(10)16/h1-6,17H,16H2.
What are the key properties of 1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine?
1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine has a molecular weight of 332.03 g/mol, XLogP of 5.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine is sourced from PubChem (CID 103477400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).