2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile

C17H17FN2O — CID 61006470

IUPAC2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile
SMILESCC(C)Oc1ccc(C(C#N)Nc2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O/c1-12(2)21-14-9-7-13(8-10-14)17(11-19)20-16-6-4-3-5-15(16)18/h3-10,12,17,20H,1-2H3
InChIKeyWSPXPKRCEFGOSM-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.29
Rot. Bonds5

About 2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile

2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile (PubChem CID 61006470) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile
PubChem CID61006470
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile
SMILESCC(C)Oc1ccc(C(C#N)Nc2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O/c1-12(2)21-14-9-7-13(8-10-14)17(11-19)20-16-6-4-3-5-15(16)18/h3-10,12,17,20H,1-2H3
InChIKeyWSPXPKRCEFGOSM-UHFFFAOYSA-N
XLogP4.29
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 60990349
2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile
CID 61006567
2-(4-chloroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 60987669
(2S)-2-(2-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile
CID 936869
2-(2-bromoanilino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210570
2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile
CID 62094989
2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 62586059
2-[bromo-(4-propan-2-yloxyphenyl)methyl]-1,3-difluorobenzene
CID 63441575
2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61212447
(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
CID 899635
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile
CID 64975375
2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile
CID 107686157

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile?
The IUPAC name of 2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile (CID 61006470) is 2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile.
What is the SMILES notation for 2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile?
The canonical SMILES for 2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile is CC(C)Oc1ccc(C(C#N)Nc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile?
The InChIKey is WSPXPKRCEFGOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-12(2)21-14-9-7-13(8-10-14)17(11-19)20-16-6-4-3-5-15(16)18/h3-10,12,17,20H,1-2H3.
What are the key properties of 2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile?
2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile has a molecular weight of 284.33 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile is sourced from PubChem (CID 61006470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).