4-[2-(N-methylanilino)acetyl]benzonitrile

C16H14N2O — CID 43227448

IUPAC4-[2-(N-methylanilino)acetyl]benzonitrile
SMILESCN(CC(=O)c1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C16H14N2O/c1-18(15-5-3-2-4-6-15)12-16(19)14-9-7-13(11-17)8-10-14/h2-10H,12H2,1H3
InChIKeyJFHYCCQIMYGCEJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.88
Rot. Bonds4

About 4-[2-(N-methylanilino)acetyl]benzonitrile

4-[2-(N-methylanilino)acetyl]benzonitrile (PubChem CID 43227448) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[2-(N-methylanilino)acetyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(N-methylanilino)acetyl]benzonitrile
PubChem CID43227448
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-[2-(N-methylanilino)acetyl]benzonitrile
SMILESCN(CC(=O)c1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C16H14N2O/c1-18(15-5-3-2-4-6-15)12-16(19)14-9-7-13(11-17)8-10-14/h2-10H,12H2,1H3
InChIKeyJFHYCCQIMYGCEJ-UHFFFAOYSA-N
XLogP2.88
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]benzonitrile
CID 62981009
4-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]benzonitrile
CID 62982058
4-[2-[benzyl(methyl)amino]acetyl]benzonitrile
CID 60679544
N-benzyl-2-(4-cyano-N-methylanilino)acetamide
CID 62982094
4-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]benzonitrile
CID 62982219
4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile
CID 62035950
4-[2-[butyl(methyl)amino]acetyl]benzonitrile
CID 43227818
4-[2-[methyl(4-methylpentan-2-yl)amino]acetyl]benzonitrile
CID 54999693
4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile
CID 62982737
4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile
CID 43228325
4-[1-hydroxy-2-(N-methylanilino)ethyl]benzonitrile
CID 43288570
2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 62035144

Frequently Asked Questions

What is the IUPAC name of 4-[2-(N-methylanilino)acetyl]benzonitrile?
The IUPAC name of 4-[2-(N-methylanilino)acetyl]benzonitrile (CID 43227448) is 4-[2-(N-methylanilino)acetyl]benzonitrile.
What is the SMILES notation for 4-[2-(N-methylanilino)acetyl]benzonitrile?
The canonical SMILES for 4-[2-(N-methylanilino)acetyl]benzonitrile is CN(CC(=O)c1ccc(C#N)cc1)c1ccccc1.
What is the InChIKey of 4-[2-(N-methylanilino)acetyl]benzonitrile?
The InChIKey is JFHYCCQIMYGCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-18(15-5-3-2-4-6-15)12-16(19)14-9-7-13(11-17)8-10-14/h2-10H,12H2,1H3.
What are the key properties of 4-[2-(N-methylanilino)acetyl]benzonitrile?
4-[2-(N-methylanilino)acetyl]benzonitrile has a molecular weight of 250.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(N-methylanilino)acetyl]benzonitrile is sourced from PubChem (CID 43227448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).