2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol

C14H12BrClFNO — CID 81279974

IUPAC2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol
SMILESOC(CNc1cc(Cl)ccc1Br)c1ccccc1F
InChIInChI=1S/C14H12BrClFNO/c15-11-6-5-9(16)7-13(11)18-8-14(19)10-3-1-2-4-12(10)17/h1-7,14,18-19H,8H2
InChIKeyBXRADLLESSELIO-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.39
Rot. Bonds4

About 2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol

2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol (PubChem CID 81279974) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol
PubChem CID81279974
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol
SMILESOC(CNc1cc(Cl)ccc1Br)c1ccccc1F
InChIInChI=1S/C14H12BrClFNO/c15-11-6-5-9(16)7-13(11)18-8-14(19)10-3-1-2-4-12(10)17/h1-7,14,18-19H,8H2
InChIKeyBXRADLLESSELIO-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-(5-chloro-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60909294
2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol
CID 81271280
1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 81280813
2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol
CID 133351580
(2R)-1-(2-bromo-5-chloroanilino)propan-2-ol
CID 106932356
1-(2-bromo-5-chloroanilino)propan-2-ol
CID 81281043
2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60901932
2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
CID 60901832
2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60901352
2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 63333952
2-(4-bromo-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60898079
2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol
CID 133351470

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol (CID 81279974) is 2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol is OC(CNc1cc(Cl)ccc1Br)c1ccccc1F.
What is the InChIKey of 2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol?
The InChIKey is BXRADLLESSELIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-11-6-5-9(16)7-13(11)18-8-14(19)10-3-1-2-4-12(10)17/h1-7,14,18-19H,8H2.
What are the key properties of 2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol?
2-(2-bromo-5-chloroanilino)-1-(2-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-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 81279974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).