2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile

C15H13FN2O2 — CID 107686157

IUPAC2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile
SMILESCOc1ccccc1NC(C#N)c1ccc(O)c(F)c1
InChIInChI=1S/C15H13FN2O2/c1-20-15-5-3-2-4-12(15)18-13(9-17)10-6-7-14(19)11(16)8-10/h2-8,13,18-19H,1H3
InChIKeyKHOGQTYEYDYOTE-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.22
Rot. Bonds4

About 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile

2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile (PubChem CID 107686157) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile
PubChem CID107686157
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile
SMILESCOc1ccccc1NC(C#N)c1ccc(O)c(F)c1
InChIInChI=1S/C15H13FN2O2/c1-20-15-5-3-2-4-12(15)18-13(9-17)10-6-7-14(19)11(16)8-10/h2-8,13,18-19H,1H3
InChIKeyKHOGQTYEYDYOTE-UHFFFAOYSA-N
XLogP3.22
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyanilino)acetonitrile
CID 61005779
(2S)-2-(2-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile
CID 936869
2-(3-fluoro-4-hydroxyphenyl)-2-(4-methoxyanilino)acetonitrile
CID 107686148
2-(2-bromoanilino)-2-(3-hydroxy-4-methoxyphenyl)acetonitrile
CID 61006456
2-(4-fluoroanilino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
CID 60986867
2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile
CID 61005424
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile
CID 61004887
2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile
CID 107686150
2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile
CID 107686152
2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile
CID 81436975
2-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxyanilino)acetonitrile
CID 60987304
2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile
CID 61006567

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile?
The IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile (CID 107686157) is 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile.
What is the SMILES notation for 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile?
The canonical SMILES for 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile is COc1ccccc1NC(C#N)c1ccc(O)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile?
The InChIKey is KHOGQTYEYDYOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-20-15-5-3-2-4-12(15)18-13(9-17)10-6-7-14(19)11(16)8-10/h2-8,13,18-19H,1H3.
What are the key properties of 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile?
2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile has a molecular weight of 272.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile is sourced from PubChem (CID 107686157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).