2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol

C14H11BrCl2FNO — CID 63488275

IUPAC2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol
SMILESOC(CNc1ccc(Br)cc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11BrCl2FNO/c15-8-1-4-13(12(18)5-8)19-7-14(20)10-6-9(16)2-3-11(10)17/h1-6,14,19-20H,7H2
InChIKeyOGKBLHCYPXHJKB-UHFFFAOYSA-N
MW379.06 g/mol
LogP5.04
Rot. Bonds4

About 2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol

2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol (PubChem CID 63488275) has the molecular formula C14H11BrCl2FNO and a molecular weight of 379.06 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol
PubChem CID63488275
Molecular FormulaC14H11BrCl2FNO
Molecular Weight379.06 g/mol
Exact Mass376.94
IUPAC Name2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol
SMILESOC(CNc1ccc(Br)cc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11BrCl2FNO/c15-8-1-4-13(12(18)5-8)19-7-14(20)10-6-9(16)2-3-11(10)17/h1-6,14,19-20H,7H2
InChIKeyOGKBLHCYPXHJKB-UHFFFAOYSA-N
XLogP5.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.06
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60898079
2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
CID 107592129
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115784831
2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
CID 107634052
2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol
CID 81271280
2-(4-bromo-2-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60901009
3-(4-bromo-2-fluoroanilino)propane-1,2-diol
CID 76891707
1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol
CID 60899526
2-(5-chloro-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60909294
1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol
CID 60901653
2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60901352
1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol
CID 60896928

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol (CID 63488275) is 2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol is OC(CNc1ccc(Br)cc1F)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol?
The InChIKey is OGKBLHCYPXHJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FNO/c15-8-1-4-13(12(18)5-8)19-7-14(20)10-6-9(16)2-3-11(10)17/h1-6,14,19-20H,7H2.
What are the key properties of 2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol?
2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol has a molecular weight of 379.06 g/mol, XLogP of 5.04, 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-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 63488275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).