2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol

C14H12BrClFNO — CID 60901352

IUPAC2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol
SMILESOC(CNc1ccc(F)cc1Br)c1ccccc1Cl
InChIInChI=1S/C14H12BrClFNO/c15-11-7-9(17)5-6-13(11)18-8-14(19)10-3-1-2-4-12(10)16/h1-7,14,18-19H,8H2
InChIKeyURHFKBHJLQMTMJ-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.39
Rot. Bonds4

About 2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol

2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol (PubChem CID 60901352) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol
PubChem CID60901352
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol
SMILESOC(CNc1ccc(F)cc1Br)c1ccccc1Cl
InChIInChI=1S/C14H12BrClFNO/c15-11-7-9(17)5-6-13(11)18-8-14(19)10-3-1-2-4-12(10)16/h1-7,14,18-19H,8H2
InChIKeyURHFKBHJLQMTMJ-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-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol
CID 81271280
2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107528287
2-(4-bromo-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60898079
2-(5-chloro-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60909294
1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol
CID 60896928
2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901542
2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol
CID 103478900
4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-fluorobenzonitrile
CID 79002808
2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
CID 60901832
2-(3-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107365115
1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol
CID 60900575
2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol
CID 81279974

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol?
The IUPAC name of 2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol (CID 60901352) is 2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol?
The canonical SMILES for 2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol is OC(CNc1ccc(F)cc1Br)c1ccccc1Cl.
What is the InChIKey of 2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol?
The InChIKey is URHFKBHJLQMTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-11-7-9(17)5-6-13(11)18-8-14(19)10-3-1-2-4-12(10)16/h1-7,14,18-19H,8H2.
What are the key properties of 2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol?
2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)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-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol is sourced from PubChem (CID 60901352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).