2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine

C12H8BrCl2FN2 — CID 107609082

IUPAC2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine
SMILESNc1cccc(Cl)c1Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H8BrCl2FN2/c13-7-4-6(16)5-9(15)11(7)18-12-8(14)2-1-3-10(12)17/h1-5,18H,17H2
InChIKeyNYHFIQGTWHGTSF-UHFFFAOYSA-N
MW350.02 g/mol
LogP5.22
Rot. Bonds2

About 2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine

2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine (PubChem CID 107609082) has the molecular formula C12H8BrCl2FN2 and a molecular weight of 350.02 g/mol. Its IUPAC name is 2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine
PubChem CID107609082
Molecular FormulaC12H8BrCl2FN2
Molecular Weight350.02 g/mol
Exact Mass347.92
IUPAC Name2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine
SMILESNc1cccc(Cl)c1Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H8BrCl2FN2/c13-7-4-6(16)5-9(15)11(7)18-12-8(14)2-1-3-10(12)17/h1-5,18H,17H2
InChIKeyNYHFIQGTWHGTSF-UHFFFAOYSA-N
XLogP5.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.02
LogP ≤ 55.22
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

3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine
CID 29080237
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylpyridin-4-amine
CID 107617932
4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 107609120
1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 107609187
1-[2-amino-5-(2-bromo-6-chloro-4-fluoroanilino)phenyl]ethanone
CID 107609156
N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 107614970
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 107614902
3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine
CID 29067270
4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine
CID 107617678
1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine
CID 107596742
4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine
CID 83082015
3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine
CID 29067112

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine?
The IUPAC name of 2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine (CID 107609082) is 2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine is Nc1cccc(Cl)c1Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine?
The InChIKey is NYHFIQGTWHGTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2FN2/c13-7-4-6(16)5-9(15)11(7)18-12-8(14)2-1-3-10(12)17/h1-5,18H,17H2.
What are the key properties of 2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine?
2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine has a molecular weight of 350.02 g/mol, XLogP of 5.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine is sourced from PubChem (CID 107609082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).