2-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)acetonitrile

C16H15FN2O2 — CID 60987531

IUPAC2-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)acetonitrile
SMILESCOc1ccc(OC)c(C(C#N)Nc2ccc(F)cc2)c1
InChIInChI=1S/C16H15FN2O2/c1-20-13-7-8-16(21-2)14(9-13)15(10-18)19-12-5-3-11(17)4-6-12/h3-9,15,19H,1-2H3
InChIKeyUFJRYTLQOVXSPW-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.52
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)acetonitrile

2-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)acetonitrile (PubChem CID 60987531) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)acetonitrile.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)acetonitrile
PubChem CID60987531
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)acetonitrile
SMILESCOc1ccc(OC)c(C(C#N)Nc2ccc(F)cc2)c1
InChIInChI=1S/C16H15FN2O2/c1-20-13-7-8-16(21-2)14(9-13)15(10-18)19-12-5-3-11(17)4-6-12/h3-9,15,19H,1-2H3
InChIKeyUFJRYTLQOVXSPW-UHFFFAOYSA-N
XLogP3.52
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromoanilino)-2-(5-bromo-2-methoxyphenyl)acetonitrile
CID 60988043
2-(4-fluoroanilino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
CID 60986867
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(4-fluoroanilino)acetonitrile
CID 60987649
2-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)acetonitrile
CID 65026574
2-[chloro-(4-fluorophenyl)methyl]-1,4-dimethoxybenzene
CID 61085947
2-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxyanilino)acetonitrile
CID 60987304
2-(2-azidoethylamino)-2-(2,5-dimethoxyphenyl)acetonitrile
CID 66191166
2-(3-fluoro-4-hydroxyphenyl)-2-(4-methoxyanilino)acetonitrile
CID 107686148
1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954299
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline
CID 43192574
2-(3-bromo-4-methoxyphenyl)-2-(3-methoxyanilino)acetonitrile
CID 61037824
2-anilino-2-(2,3,4-trimethoxyphenyl)acetonitrile
CID 102232248

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)acetonitrile?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)acetonitrile (CID 60987531) is 2-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)acetonitrile.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)acetonitrile?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)acetonitrile is COc1ccc(OC)c(C(C#N)Nc2ccc(F)cc2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)acetonitrile?
The InChIKey is UFJRYTLQOVXSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-20-13-7-8-16(21-2)14(9-13)15(10-18)19-12-5-3-11(17)4-6-12/h3-9,15,19H,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)acetonitrile?
2-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)acetonitrile has a molecular weight of 286.31 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)acetonitrile is sourced from PubChem (CID 60987531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).