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

C14H11BrClF2NO — CID 60901009

IUPAC2-(4-bromo-2-chloroanilino)-1-(3,4-difluorophenyl)ethanol
SMILESOC(CNc1ccc(Br)cc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11BrClF2NO/c15-9-2-4-13(10(16)6-9)19-7-14(20)8-1-3-11(17)12(18)5-8/h1-6,14,19-20H,7H2
InChIKeyJWSOWLGQPDMMAR-UHFFFAOYSA-N
MW362.60 g/mol
LogP4.53
Rot. Bonds4

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

2-(4-bromo-2-chloroanilino)-1-(3,4-difluorophenyl)ethanol (PubChem CID 60901009) has the molecular formula C14H11BrClF2NO and a molecular weight of 362.60 g/mol. Its IUPAC name is 2-(4-bromo-2-chloroanilino)-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-chloroanilino)-1-(3,4-difluorophenyl)ethanol
PubChem CID60901009
Molecular FormulaC14H11BrClF2NO
Molecular Weight362.60 g/mol
Exact Mass360.97
IUPAC Name2-(4-bromo-2-chloroanilino)-1-(3,4-difluorophenyl)ethanol
SMILESOC(CNc1ccc(Br)cc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11BrClF2NO/c15-9-2-4-13(10(16)6-9)19-7-14(20)8-1-3-11(17)12(18)5-8/h1-6,14,19-20H,7H2
InChIKeyJWSOWLGQPDMMAR-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-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888
2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562
1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol
CID 60909028
2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol
CID 63488275
2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 107633844
2-(4-bromo-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60898079
4-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-3-chlorobenzonitrile
CID 107807867
1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
CID 60897122
(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43805150
2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol
CID 107591865
2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 63334175

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloroanilino)-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-(4-bromo-2-chloroanilino)-1-(3,4-difluorophenyl)ethanol (CID 60901009) is 2-(4-bromo-2-chloroanilino)-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-chloroanilino)-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-chloroanilino)-1-(3,4-difluorophenyl)ethanol is OC(CNc1ccc(Br)cc1Cl)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(4-bromo-2-chloroanilino)-1-(3,4-difluorophenyl)ethanol?
The InChIKey is JWSOWLGQPDMMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2NO/c15-9-2-4-13(10(16)6-9)19-7-14(20)8-1-3-11(17)12(18)5-8/h1-6,14,19-20H,7H2.
What are the key properties of 2-(4-bromo-2-chloroanilino)-1-(3,4-difluorophenyl)ethanol?
2-(4-bromo-2-chloroanilino)-1-(3,4-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-(4-bromo-2-chloroanilino)-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 60901009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).