2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol

C14H12Br2FNO — CID 107635976

IUPAC2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol
SMILESOC(CNc1cc(F)ccc1Br)c1cccc(Br)c1
InChIInChI=1S/C14H12Br2FNO/c15-10-3-1-2-9(6-10)14(19)8-18-13-7-11(17)4-5-12(13)16/h1-7,14,18-19H,8H2
InChIKeySCILGXUDYXHTOH-UHFFFAOYSA-N
MW389.06 g/mol
LogP4.50
Rot. Bonds4

About 2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol

2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol (PubChem CID 107635976) has the molecular formula C14H12Br2FNO and a molecular weight of 389.06 g/mol. Its IUPAC name is 2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol
PubChem CID107635976
Molecular FormulaC14H12Br2FNO
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol
SMILESOC(CNc1cc(F)ccc1Br)c1cccc(Br)c1
InChIInChI=1S/C14H12Br2FNO/c15-10-3-1-2-9(6-10)14(19)8-18-13-7-11(17)4-5-12(13)16/h1-7,14,18-19H,8H2
InChIKeySCILGXUDYXHTOH-UHFFFAOYSA-N
XLogP4.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)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-(2-bromo-5-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 107635978
2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901542
1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol
CID 60900314
2-(2-bromoanilino)-1-(3-fluorophenyl)ethanol
CID 60897612
2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol
CID 102853410
1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol
CID 60909028
2-(2-bromo-5-fluorophenyl)-1-(3-bromophenyl)ethanol
CID 62606497
4-bromo-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 107798011
2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134139
1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol
CID 60896322
2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline
CID 107635577
1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol
CID 60900233

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol?
The IUPAC name of 2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol (CID 107635976) is 2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol?
The canonical SMILES for 2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol is OC(CNc1cc(F)ccc1Br)c1cccc(Br)c1.
What is the InChIKey of 2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol?
The InChIKey is SCILGXUDYXHTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO/c15-10-3-1-2-9(6-10)14(19)8-18-13-7-11(17)4-5-12(13)16/h1-7,14,18-19H,8H2.
What are the key properties of 2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol?
2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol has a molecular weight of 389.06 g/mol, XLogP of 4.50, 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-fluoroanilino)-1-(3-bromophenyl)ethanol is sourced from PubChem (CID 107635976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).