2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol

C14H12BrClFNO — CID 107620086

IUPAC2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol
SMILESOC(CNc1ccc(Br)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C14H12BrClFNO/c15-12-6-5-11(7-13(12)16)18-8-14(19)9-1-3-10(17)4-2-9/h1-7,14,18-19H,8H2
InChIKeyRWUXPRDQEDEUBS-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.39
Rot. Bonds4

About 2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol

2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol (PubChem CID 107620086) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol
PubChem CID107620086
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol
SMILESOC(CNc1ccc(Br)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C14H12BrClFNO/c15-12-6-5-11(7-13(12)16)18-8-14(19)9-1-3-10(17)4-2-9/h1-7,14,18-19H,8H2
InChIKeyRWUXPRDQEDEUBS-UHFFFAOYSA-N
XLogP4.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol
CID 107619841
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
CID 104723407
2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol
CID 60720002
2-(3-chloro-4-fluoroanilino)-1-phenylethanol
CID 82045081
2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724940
1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
CID 60724810
2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562
2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 107528194
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
4-bromo-3-chloro-N-(2-methylpropyl)aniline
CID 83326794
4-[2-(3-chloro-4-fluoroanilino)-1-hydroxyethyl]benzonitrile
CID 83108931

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol (CID 107620086) is 2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol is OC(CNc1ccc(Br)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol?
The InChIKey is RWUXPRDQEDEUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-12-6-5-11(7-13(12)16)18-8-14(19)9-1-3-10(17)4-2-9/h1-7,14,18-19H,8H2.
What are the key properties of 2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol?
2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol has a molecular weight of 344.61 g/mol, XLogP of 4.39, 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-(4-fluorophenyl)ethanol is sourced from PubChem (CID 107620086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).