4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine

C12H7BrClF3N2 — CID 83082015

IUPAC4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine
SMILESNc1cc(Br)c(F)cc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H7BrClF3N2/c13-6-3-10(18)11(4-8(6)16)19-12-7(14)1-5(15)2-9(12)17/h1-4,19H,18H2
InChIKeySWJPAMYBUZYMBO-UHFFFAOYSA-N
MW351.55 g/mol
LogP4.85
Rot. Bonds2

About 4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine

4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine (PubChem CID 83082015) has the molecular formula C12H7BrClF3N2 and a molecular weight of 351.55 g/mol. Its IUPAC name is 4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine
PubChem CID83082015
Molecular FormulaC12H7BrClF3N2
Molecular Weight351.55 g/mol
Exact Mass349.94
IUPAC Name4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine
SMILESNc1cc(Br)c(F)cc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H7BrClF3N2/c13-6-3-10(18)11(4-8(6)16)19-12-7(14)1-5(15)2-9(12)17/h1-4,19H,18H2
InChIKeySWJPAMYBUZYMBO-UHFFFAOYSA-N
XLogP4.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.55
LogP ≤ 54.85
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

4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine
CID 83081059
4-bromo-5-fluoro-2-N-(2,4,6-trifluorophenyl)benzene-1,2-diamine
CID 116736058
1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 102852474
4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
CID 83073033
4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine
CID 66112308
4-bromo-2-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine
CID 116736046
5-N-(2-chloro-4,6-difluorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 83072875
1-N-(2-bromo-6-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 107596688
1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 83077117
5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
CID 83074420
1-N-(4-bromo-3-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 66078253
1-N-(2-bromo-5-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 107634444

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine?
The IUPAC name of 4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine (CID 83082015) is 4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine is Nc1cc(Br)c(F)cc1Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine?
The InChIKey is SWJPAMYBUZYMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF3N2/c13-6-3-10(18)11(4-8(6)16)19-12-7(14)1-5(15)2-9(12)17/h1-4,19H,18H2.
What are the key properties of 4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine?
4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine has a molecular weight of 351.55 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-N-(2-chloro-4,6-difluorophenyl)-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 83082015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).