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

C14H12BrCl2NO — CID 81271280

IUPAC2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol
SMILESOC(CNc1ccc(Cl)cc1Br)c1ccccc1Cl
InChIInChI=1S/C14H12BrCl2NO/c15-11-7-9(16)5-6-13(11)18-8-14(19)10-3-1-2-4-12(10)17/h1-7,14,18-19H,8H2
InChIKeyAEPOZGHARZWASS-UHFFFAOYSA-N
MW361.07 g/mol
LogP4.90
Rot. Bonds4

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

2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol (PubChem CID 81271280) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is 2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol
PubChem CID81271280
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol
SMILESOC(CNc1ccc(Cl)cc1Br)c1ccccc1Cl
InChIInChI=1S/C14H12BrCl2NO/c15-11-7-9(16)5-6-13(11)18-8-14(19)10-3-1-2-4-12(10)17/h1-7,14,18-19H,8H2
InChIKeyAEPOZGHARZWASS-UHFFFAOYSA-N
XLogP4.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60901352
2-(5-chloro-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60909294
2-(4-bromo-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60898079
1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol
CID 60896928
2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol
CID 81279974
1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol
CID 60900575
2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107528287
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
CID 107634052
2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol
CID 63488275
4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-fluorobenzonitrile
CID 79002808
2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol
CID 63490045

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol?
The IUPAC name of 2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol (CID 81271280) is 2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol?
The canonical SMILES for 2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol is OC(CNc1ccc(Cl)cc1Br)c1ccccc1Cl.
What is the InChIKey of 2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol?
The InChIKey is AEPOZGHARZWASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c15-11-7-9(16)5-6-13(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-4-chloroanilino)-1-(2-chlorophenyl)ethanol?
2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol has a molecular weight of 361.07 g/mol, XLogP of 4.90, 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-chloroanilino)-1-(2-chlorophenyl)ethanol is sourced from PubChem (CID 81271280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).