4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile

C17H15FN2O — CID 62982737

IUPAC4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile
SMILESCN(CC(=O)Cc1ccccc1F)c1ccc(C#N)cc1
InChIInChI=1S/C17H15FN2O/c1-20(15-8-6-13(11-19)7-9-15)12-16(21)10-14-4-2-3-5-17(14)18/h2-9H,10,12H2,1H3
InChIKeyOGKWBOPOLILVNK-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.95
Rot. Bonds5

About 4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile

4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile (PubChem CID 62982737) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile.

Molecular Properties

Compound Name4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile
PubChem CID62982737
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile
SMILESCN(CC(=O)Cc1ccccc1F)c1ccc(C#N)cc1
InChIInChI=1S/C17H15FN2O/c1-20(15-8-6-13(11-19)7-9-15)12-16(21)10-14-4-2-3-5-17(14)18/h2-9H,10,12H2,1H3
InChIKeyOGKWBOPOLILVNK-UHFFFAOYSA-N
XLogP2.95
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile
CID 62035950
4-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]benzonitrile
CID 62982058
4-[2-(N-methylanilino)acetyl]benzonitrile
CID 43227448
1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one
CID 159401100
4-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]benzonitrile
CID 62981009
N-benzyl-2-(4-cyano-N-methylanilino)acetamide
CID 62982094
N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
CID 60977237
2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 2527758
1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 62051935
4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile
CID 62981738
1-(2-fluorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-one
CID 62036369
N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide
CID 60724445

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile?
The IUPAC name of 4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile (CID 62982737) is 4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile.
What is the SMILES notation for 4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile?
The canonical SMILES for 4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile is CN(CC(=O)Cc1ccccc1F)c1ccc(C#N)cc1.
What is the InChIKey of 4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile?
The InChIKey is OGKWBOPOLILVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-20(15-8-6-13(11-19)7-9-15)12-16(21)10-14-4-2-3-5-17(14)18/h2-9H,10,12H2,1H3.
What are the key properties of 4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile?
4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile has a molecular weight of 282.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile is sourced from PubChem (CID 62982737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).