2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile

C16H15FN2 — CID 54886631

IUPAC2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile
SMILESCCc1ccc(C(C#N)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2/c1-2-12-3-5-13(6-4-12)16(11-18)19-15-9-7-14(17)8-10-15/h3-10,16,19H,2H2,1H3
InChIKeyDKXUGLFTXMDNHM-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.06
Rot. Bonds4

About 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile

2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile (PubChem CID 54886631) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile
PubChem CID54886631
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile
SMILESCCc1ccc(C(C#N)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2/c1-2-12-3-5-13(6-4-12)16(11-18)19-15-9-7-14(17)8-10-15/h3-10,16,19H,2H2,1H3
InChIKeyDKXUGLFTXMDNHM-UHFFFAOYSA-N
XLogP4.06
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile
CID 54886237
2-(4-bromoanilino)-2-(4-fluorophenyl)acetonitrile
CID 54886157
2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886674
2-(3-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetonitrile
CID 105401756
4-ethyl-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43097077
2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile
CID 61005424
2-(4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115180
2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile
CID 60987777
2-(4-fluoroanilino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
CID 60986867
methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate
CID 60991285
3-(4-ethylphenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334247
2-(4-chloroanilino)-2-(4-propan-2-ylphenyl)acetonitrile
CID 60987657

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile?
The IUPAC name of 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile (CID 54886631) is 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile.
What is the SMILES notation for 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile?
The canonical SMILES for 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile is CCc1ccc(C(C#N)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile?
The InChIKey is DKXUGLFTXMDNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-2-12-3-5-13(6-4-12)16(11-18)19-15-9-7-14(17)8-10-15/h3-10,16,19H,2H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile?
2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile has a molecular weight of 254.31 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile is sourced from PubChem (CID 54886631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).