2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile

C14H9Cl2FN2 — CID 54886457

IUPAC2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile
SMILESN#CC(Nc1ccc(F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2FN2/c15-9-1-6-12(13(16)7-9)14(8-18)19-11-4-2-10(17)3-5-11/h1-7,14,19H
InChIKeyUKUYAGSXHUWTKL-UHFFFAOYSA-N
MW295.14 g/mol
LogP4.81
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile

2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile (PubChem CID 54886457) has the molecular formula C14H9Cl2FN2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile
PubChem CID54886457
Molecular FormulaC14H9Cl2FN2
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile
SMILESN#CC(Nc1ccc(F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2FN2/c15-9-1-6-12(13(16)7-9)14(8-18)19-11-4-2-10(17)3-5-11/h1-7,14,19H
InChIKeyUKUYAGSXHUWTKL-UHFFFAOYSA-N
XLogP4.81
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 43115042
2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886674
2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile
CID 54886838
2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile
CID 43151713
N-[cyano-(2,4-dichlorophenyl)methyl]acetamide
CID 83543201
[cyano-(2,4-dichlorophenyl)methyl]urea
CID 110192031
2-(4-chloroanilino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62121850
2-(4-bromo-2-fluorophenyl)-2-(3-chloroanilino)acetonitrile
CID 54887298
2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile
CID 54886328
2-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)acetonitrile
CID 60987531
2-(butylamino)-2-(2,4-dichlorophenyl)acetonitrile
CID 82020095
2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetonitrile
CID 82020101

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile (CID 54886457) is 2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile is N#CC(Nc1ccc(F)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile?
The InChIKey is UKUYAGSXHUWTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2/c15-9-1-6-12(13(16)7-9)14(8-18)19-11-4-2-10(17)3-5-11/h1-7,14,19H.
What are the key properties of 2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile?
2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile has a molecular weight of 295.14 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile is sourced from PubChem (CID 54886457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).