1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine

C12H8BrCl2FN2 — CID 107596742

IUPAC1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine
SMILESNc1cc(Cl)c(Nc2c(F)cccc2Br)c(Cl)c1
InChIInChI=1S/C12H8BrCl2FN2/c13-7-2-1-3-10(16)11(7)18-12-8(14)4-6(17)5-9(12)15/h1-5,18H,17H2
InChIKeyASISURVRSGCRGR-UHFFFAOYSA-N
MW350.02 g/mol
LogP5.22
Rot. Bonds2

About 1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine

1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine (PubChem CID 107596742) has the molecular formula C12H8BrCl2FN2 and a molecular weight of 350.02 g/mol. Its IUPAC name is 1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine
PubChem CID107596742
Molecular FormulaC12H8BrCl2FN2
Molecular Weight350.02 g/mol
Exact Mass347.92
IUPAC Name1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine
SMILESNc1cc(Cl)c(Nc2c(F)cccc2Br)c(Cl)c1
InChIInChI=1S/C12H8BrCl2FN2/c13-7-2-1-3-10(16)11(7)18-12-8(14)4-6(17)5-9(12)15/h1-5,18H,17H2
InChIKeyASISURVRSGCRGR-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

1-N-(2-bromo-6-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 107596688
2-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine
CID 107596513
3-amino-5-(2-bromo-6-fluoroanilino)benzenesulfonamide
CID 107596684
N-(2-bromo-6-fluorophenyl)-5-chloropyridin-2-amine
CID 107603088
4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine
CID 107596728
5-amino-3-(2-bromo-6-fluoroanilino)-2-methylbenzenesulfonamide
CID 107596732
2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine
CID 106889883
3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596194
4-amino-2-(2-bromo-6-fluoroanilino)benzoic acid
CID 107602748
3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 107596191
2-(2-bromo-6-fluoroanilino)-4-chlorobenzenecarbothioamide
CID 107600580
4-amino-2-(2-bromo-6-fluoroanilino)benzamide
CID 107596749

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine?
The IUPAC name of 1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine (CID 107596742) is 1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine is Nc1cc(Cl)c(Nc2c(F)cccc2Br)c(Cl)c1.
What is the InChIKey of 1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine?
The InChIKey is ASISURVRSGCRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2FN2/c13-7-2-1-3-10(16)11(7)18-12-8(14)4-6(17)5-9(12)15/h1-5,18H,17H2.
What are the key properties of 1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine?
1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-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 1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine is sourced from PubChem (CID 107596742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).