2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol

C14H11BrClF2NO — CID 107619841

IUPAC2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol
SMILESOC(CNc1ccc(Br)c(Cl)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H11BrClF2NO/c15-11-3-2-9(6-12(11)16)19-7-14(20)10-5-8(17)1-4-13(10)18/h1-6,14,19-20H,7H2
InChIKeyZIBVYSOOOZIOBX-UHFFFAOYSA-N
MW362.60 g/mol
LogP4.53
Rot. Bonds4

About 2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol

2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol (PubChem CID 107619841) has the molecular formula C14H11BrClF2NO and a molecular weight of 362.60 g/mol. Its IUPAC name is 2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol
PubChem CID107619841
Molecular FormulaC14H11BrClF2NO
Molecular Weight362.60 g/mol
Exact Mass360.97
IUPAC Name2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol
SMILESOC(CNc1ccc(Br)c(Cl)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H11BrClF2NO/c15-11-3-2-9(6-12(11)16)19-7-14(20)10-5-8(17)1-4-13(10)18/h1-6,14,19-20H,7H2
InChIKeyZIBVYSOOOZIOBX-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

2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol
CID 107620086
2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol
CID 65437921
2-anilino-1-(2,5-difluorophenyl)ethanol
CID 55026297
1-(2,5-difluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62811175
2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 60898778
2-(1,3-benzodioxol-5-ylamino)-1-(2,5-difluorophenyl)ethanol
CID 60901510
1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol
CID 60901653
1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol
CID 62815556
2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60898395
2-(3-chloro-4-fluoroanilino)-1-phenylethanol
CID 82045081
4-bromo-3-chloro-N-(2-methylpropyl)aniline
CID 83326794
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol?
The IUPAC name of 2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol (CID 107619841) is 2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol?
The canonical SMILES for 2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol is OC(CNc1ccc(Br)c(Cl)c1)c1cc(F)ccc1F.
What is the InChIKey of 2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol?
The InChIKey is ZIBVYSOOOZIOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2NO/c15-11-3-2-9(6-12(11)16)19-7-14(20)10-5-8(17)1-4-13(10)18/h1-6,14,19-20H,7H2.
What are the key properties of 2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol?
2-(4-bromo-3-chloroanilino)-1-(2,5-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-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol is sourced from PubChem (CID 107619841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).