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

C12H9BrCl2N2 — CID 65343667

IUPAC4-bromo-2-N-(2,3-dichlorophenyl)benzene-1,2-diamine
SMILESNc1ccc(Br)cc1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H9BrCl2N2/c13-7-4-5-9(16)11(6-7)17-10-3-1-2-8(14)12(10)15/h1-6,17H,16H2
InChIKeySXGWUNUHEBBMGM-UHFFFAOYSA-N
MW332.03 g/mol
LogP5.08
Rot. Bonds2

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

4-bromo-2-N-(2,3-dichlorophenyl)benzene-1,2-diamine (PubChem CID 65343667) has the molecular formula C12H9BrCl2N2 and a molecular weight of 332.03 g/mol. Its IUPAC name is 4-bromo-2-N-(2,3-dichlorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(2,3-dichlorophenyl)benzene-1,2-diamine
PubChem CID65343667
Molecular FormulaC12H9BrCl2N2
Molecular Weight332.03 g/mol
Exact Mass329.93
IUPAC Name4-bromo-2-N-(2,3-dichlorophenyl)benzene-1,2-diamine
SMILESNc1ccc(Br)cc1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H9BrCl2N2/c13-7-4-5-9(16)11(6-7)17-10-3-1-2-8(14)12(10)15/h1-6,17H,16H2
InChIKeySXGWUNUHEBBMGM-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

4-bromo-2-N-(2,4-dichlorophenyl)benzene-1,2-diamine
CID 65343558
4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine
CID 106750347
4-bromo-2-N-(5-bromo-2-fluorophenyl)benzene-1,2-diamine
CID 65343677
4-N-(2,3-dichlorophenyl)benzene-1,4-diamine
CID 4764118
4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 65342953
2-amino-5-(2,3-dichloroanilino)benzoic acid
CID 54888225
2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 79519414
4-bromo-2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine
CID 65475230
4-bromo-2-N-pyridin-4-ylbenzene-1,2-diamine
CID 90093407
1-N-(2,3-dichlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067483
6-chloro-2-N-(2,3-dichlorophenyl)pyridine-2,3-diamine
CID 115473651
4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine
CID 65343297

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(2,3-dichlorophenyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(2,3-dichlorophenyl)benzene-1,2-diamine (CID 65343667) is 4-bromo-2-N-(2,3-dichlorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(2,3-dichlorophenyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(2,3-dichlorophenyl)benzene-1,2-diamine is Nc1ccc(Br)cc1Nc1cccc(Cl)c1Cl.
What is the InChIKey of 4-bromo-2-N-(2,3-dichlorophenyl)benzene-1,2-diamine?
The InChIKey is SXGWUNUHEBBMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2/c13-7-4-5-9(16)11(6-7)17-10-3-1-2-8(14)12(10)15/h1-6,17H,16H2.
What are the key properties of 4-bromo-2-N-(2,3-dichlorophenyl)benzene-1,2-diamine?
4-bromo-2-N-(2,3-dichlorophenyl)benzene-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 4-bromo-2-N-(2,3-dichlorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 65343667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).