4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile

C15H12ClFN2O — CID 107528274

IUPAC4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(C(O)CNc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C15H12ClFN2O/c16-13-6-5-12(17)7-14(13)19-9-15(20)11-3-1-10(8-18)2-4-11/h1-7,15,19-20H,9H2
InChIKeyVUCBPGQWWSWGLX-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.50
Rot. Bonds4

About 4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile

4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile (PubChem CID 107528274) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile
PubChem CID107528274
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(C(O)CNc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C15H12ClFN2O/c16-13-6-5-12(17)7-14(13)19-9-15(20)11-3-1-10(8-18)2-4-11/h1-7,15,19-20H,9H2
InChIKeyVUCBPGQWWSWGLX-UHFFFAOYSA-N
XLogP3.50
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 107528194
4-[2-(3-chloro-4-fluoroanilino)-1-hydroxyethyl]benzonitrile
CID 83108931
1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
CID 60897122
2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107528287
2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
CID 104726864
3-chloro-4-[(2-chloro-5-fluoroanilino)methyl]benzonitrile
CID 107528339
4-[1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]benzonitrile
CID 60761219
4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-fluorobenzonitrile
CID 79002808
4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 60759325
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-3-fluorobenzonitrile
CID 78916070
3-fluoro-4-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]benzonitrile
CID 78916072
1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol
CID 62809910

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile (CID 107528274) is 4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile is N#Cc1ccc(C(O)CNc2cc(F)ccc2Cl)cc1.
What is the InChIKey of 4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile?
The InChIKey is VUCBPGQWWSWGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c16-13-6-5-12(17)7-14(13)19-9-15(20)11-3-1-10(8-18)2-4-11/h1-7,15,19-20H,9H2.
What are the key properties of 4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile?
4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile has a molecular weight of 290.73 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 107528274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).