2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol

C14H11BrClF2NO — CID 103478900

IUPAC2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol
SMILESOC(CNc1cccc(Cl)c1Br)c1ccc(F)cc1F
InChIInChI=1S/C14H11BrClF2NO/c15-14-10(16)2-1-3-12(14)19-7-13(20)9-5-4-8(17)6-11(9)18/h1-6,13,19-20H,7H2
InChIKeyACCKDXIIQQCERF-UHFFFAOYSA-N
MW362.60 g/mol
LogP4.53
Rot. Bonds4

About 2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol

2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol (PubChem CID 103478900) has the molecular formula C14H11BrClF2NO and a molecular weight of 362.60 g/mol. Its IUPAC name is 2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol
PubChem CID103478900
Molecular FormulaC14H11BrClF2NO
Molecular Weight362.60 g/mol
Exact Mass360.97
IUPAC Name2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol
SMILESOC(CNc1cccc(Cl)c1Br)c1ccc(F)cc1F
InChIInChI=1S/C14H11BrClF2NO/c15-14-10(16)2-1-3-12(14)19-7-13(20)9-5-4-8(17)6-11(9)18/h1-6,13,19-20H,7H2
InChIKeyACCKDXIIQQCERF-UHFFFAOYSA-N
XLogP4.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.60
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644662
2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60901352
2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 107591968
2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107528287
2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol
CID 65437921
2-(4-bromo-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60898079
3-bromo-4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 103865813
2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
CID 60901832
2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 60898778
2-(5-chloro-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60909294
2-(2,3-dichlorophenyl)-1-(2,4-difluorophenyl)ethanol
CID 107307451
2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol
CID 81271280

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol (CID 103478900) is 2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol is OC(CNc1cccc(Cl)c1Br)c1ccc(F)cc1F.
What is the InChIKey of 2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol?
The InChIKey is ACCKDXIIQQCERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2NO/c15-14-10(16)2-1-3-12(14)19-7-13(20)9-5-4-8(17)6-11(9)18/h1-6,13,19-20H,7H2.
What are the key properties of 2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol?
2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol has a molecular weight of 362.60 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 103478900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).