4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]benzonitrile

C16H14N2O2 — CID 94277782

IUPAC4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]benzonitrile
SMILESCOc1ccccc1C(=O)CNc1ccc(C#N)cc1
InChIInChI=1S/C16H14N2O2/c1-20-16-5-3-2-4-14(16)15(19)11-18-13-8-6-12(10-17)7-9-13/h2-9,18H,11H2,1H3
InChIKeyBNDVDBDAOLCMHW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.86
Rot. Bonds5

About 4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]benzonitrile

4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]benzonitrile (PubChem CID 94277782) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]benzonitrile
PubChem CID94277782
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]benzonitrile
SMILESCOc1ccccc1C(=O)CNc1ccc(C#N)cc1
InChIInChI=1S/C16H14N2O2/c1-20-16-5-3-2-4-14(16)15(19)11-18-13-8-6-12(10-17)7-9-13/h2-9,18H,11H2,1H3
InChIKeyBNDVDBDAOLCMHW-UHFFFAOYSA-N
XLogP2.86
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone
CID 94271270
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 26437501
methyl 2-[(4-cyanoanilino)methyl]benzoate
CID 43763733
2-(2-fluoroanilino)-1-(2-methoxyphenyl)ethanone
CID 94272670
N-[2-(2-methoxyphenyl)-2-oxoethyl]acetamide
CID 12945637
2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 86825970
1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone
CID 82102169
2-anilino-1-(2,4-dimethoxyphenyl)ethanone
CID 94281074
2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507789
N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide
CID 26437475
[2-(2-methoxyphenyl)-2-oxoethyl] thiocyanate
CID 91667335

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]benzonitrile?
The IUPAC name of 4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]benzonitrile (CID 94277782) is 4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]benzonitrile.
What is the SMILES notation for 4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]benzonitrile?
The canonical SMILES for 4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]benzonitrile is COc1ccccc1C(=O)CNc1ccc(C#N)cc1.
What is the InChIKey of 4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]benzonitrile?
The InChIKey is BNDVDBDAOLCMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-16-5-3-2-4-14(16)15(19)11-18-13-8-6-12(10-17)7-9-13/h2-9,18H,11H2,1H3.
What are the key properties of 4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]benzonitrile?
4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]benzonitrile has a molecular weight of 266.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]benzonitrile is sourced from PubChem (CID 94277782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).