2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol

C15H13BrF3NO — CID 107591968

IUPAC2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol
SMILESCc1cc(F)c(Br)cc1NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C15H13BrF3NO/c1-8-4-13(19)11(16)6-14(8)20-7-15(21)10-3-2-9(17)5-12(10)18/h2-6,15,20-21H,7H2,1H3
InChIKeyYFEXLZGERGJAGL-UHFFFAOYSA-N
MW360.17 g/mol
LogP4.32
Rot. Bonds4

About 2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol

2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol (PubChem CID 107591968) has the molecular formula C15H13BrF3NO and a molecular weight of 360.17 g/mol. Its IUPAC name is 2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol
PubChem CID107591968
Molecular FormulaC15H13BrF3NO
Molecular Weight360.17 g/mol
Exact Mass359.01
IUPAC Name2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol
SMILESCc1cc(F)c(Br)cc1NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C15H13BrF3NO/c1-8-4-13(19)11(16)6-14(8)20-7-15(21)10-3-2-9(17)5-12(10)18/h2-6,15,20-21H,7H2,1H3
InChIKeyYFEXLZGERGJAGL-UHFFFAOYSA-N
XLogP4.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
CID 107592129
2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol
CID 107591865
2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol
CID 65437921
3-bromo-4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 103865813
1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644662
2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol
CID 103478900
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline
CID 107591186
2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 60898778
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-3-methylsulfonylbenzenesulfonamide
CID 56578774
5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591672
1-(5-bromo-4-fluoro-2-methylanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 107591853

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol (CID 107591968) is 2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol is Cc1cc(F)c(Br)cc1NCC(O)c1ccc(F)cc1F.
What is the InChIKey of 2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol?
The InChIKey is YFEXLZGERGJAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO/c1-8-4-13(19)11(16)6-14(8)20-7-15(21)10-3-2-9(17)5-12(10)18/h2-6,15,20-21H,7H2,1H3.
What are the key properties of 2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol?
2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol has a molecular weight of 360.17 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 107591968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).