2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol

C14H12Cl2FNO — CID 107528287

IUPAC2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
SMILESOC(CNc1cc(F)ccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H12Cl2FNO/c15-11-4-2-1-3-10(11)14(19)8-18-13-7-9(17)5-6-12(13)16/h1-7,14,18-19H,8H2
InChIKeyYGMLZEDHRQCUSM-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.28
Rot. Bonds4

About 2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol

2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol (PubChem CID 107528287) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
PubChem CID107528287
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
SMILESOC(CNc1cc(F)ccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H12Cl2FNO/c15-11-4-2-1-3-10(11)14(19)8-18-13-7-9(17)5-6-12(13)16/h1-7,14,18-19H,8H2
InChIKeyYGMLZEDHRQCUSM-UHFFFAOYSA-N
XLogP4.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.28
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-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 107528194
1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol
CID 60896928
2-(4-bromo-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60898079
2-(3-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107365115
1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol
CID 60900575
2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol
CID 81271280
4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-fluorobenzonitrile
CID 79002808
2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
CID 60901832
1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol
CID 60896352
4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile
CID 107528274

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol?
The IUPAC name of 2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol (CID 107528287) is 2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol?
The canonical SMILES for 2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol is OC(CNc1cc(F)ccc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol?
The InChIKey is YGMLZEDHRQCUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-11-4-2-1-3-10(11)14(19)8-18-13-7-9(17)5-6-12(13)16/h1-7,14,18-19H,8H2.
What are the key properties of 2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol?
2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol has a molecular weight of 300.16 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol is sourced from PubChem (CID 107528287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).