2-anilino-6-phenoxybenzonitrile

C19H14N2O — CID 22136226

IUPAC2-anilino-6-phenoxybenzonitrile
SMILESN#Cc1c(Nc2ccccc2)cccc1Oc1ccccc1
InChIInChI=1S/C19H14N2O/c20-14-17-18(21-15-8-3-1-4-9-15)12-7-13-19(17)22-16-10-5-2-6-11-16/h1-13,21H
InChIKeySWIQWOFTJFNNKW-UHFFFAOYSA-N
MW286.33 g/mol
LogP5.09
Rot. Bonds4

About 2-anilino-6-phenoxybenzonitrile

2-anilino-6-phenoxybenzonitrile (PubChem CID 22136226) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-anilino-6-phenoxybenzonitrile.

Molecular Properties

Compound Name2-anilino-6-phenoxybenzonitrile
PubChem CID22136226
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name2-anilino-6-phenoxybenzonitrile
SMILESN#Cc1c(Nc2ccccc2)cccc1Oc1ccccc1
InChIInChI=1S/C19H14N2O/c20-14-17-18(21-15-8-3-1-4-9-15)12-7-13-19(17)22-16-10-5-2-6-11-16/h1-13,21H
InChIKeySWIQWOFTJFNNKW-UHFFFAOYSA-N
XLogP5.09
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.33
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-phenoxybenzonitrile?
The IUPAC name of 2-anilino-6-phenoxybenzonitrile (CID 22136226) is 2-anilino-6-phenoxybenzonitrile.
What is the SMILES notation for 2-anilino-6-phenoxybenzonitrile?
The canonical SMILES for 2-anilino-6-phenoxybenzonitrile is N#Cc1c(Nc2ccccc2)cccc1Oc1ccccc1.
What is the InChIKey of 2-anilino-6-phenoxybenzonitrile?
The InChIKey is SWIQWOFTJFNNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c20-14-17-18(21-15-8-3-1-4-9-15)12-7-13-19(17)22-16-10-5-2-6-11-16/h1-13,21H.
What are the key properties of 2-anilino-6-phenoxybenzonitrile?
2-anilino-6-phenoxybenzonitrile has a molecular weight of 286.33 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-phenoxybenzonitrile is sourced from PubChem (CID 22136226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).