3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile

C13H15FN2O — CID 62035714

IUPAC3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile
SMILESCCN(CCC#N)CC(=O)c1ccccc1F
InChIInChI=1S/C13H15FN2O/c1-2-16(9-5-8-15)10-13(17)11-6-3-4-7-12(11)14/h3-4,6-7H,2,5,9-10H2,1H3
InChIKeySIEYLDBDGVQCTL-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.24
Rot. Bonds6

About 3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile

3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile (PubChem CID 62035714) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile
PubChem CID62035714
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile
SMILESCCN(CCC#N)CC(=O)c1ccccc1F
InChIInChI=1S/C13H15FN2O/c1-2-16(9-5-8-15)10-13(17)11-6-3-4-7-12(11)14/h3-4,6-7H,2,5,9-10H2,1H3
InChIKeySIEYLDBDGVQCTL-UHFFFAOYSA-N
XLogP2.24
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,4-difluorophenyl)-2-oxoethyl]-ethylamino]propanenitrile
CID 62035136
2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone
CID 102995129
2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone
CID 63696521
2-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]acetamide
CID 103103098
3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile
CID 62035138
4-(2-fluorophenyl)-4-oxobutanenitrile
CID 24723821
3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618359
2-[benzyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)ethanone
CID 62114429
3-[ethyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanenitrile
CID 62037455
1-(2-fluorophenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43219744
1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone
CID 104552726
3-[methyl-[2-(2-methylphenyl)-2-oxoethyl]amino]propanenitrile
CID 62052130

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile?
The IUPAC name of 3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile (CID 62035714) is 3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile.
What is the SMILES notation for 3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile?
The canonical SMILES for 3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile is CCN(CCC#N)CC(=O)c1ccccc1F.
What is the InChIKey of 3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile?
The InChIKey is SIEYLDBDGVQCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-2-16(9-5-8-15)10-13(17)11-6-3-4-7-12(11)14/h3-4,6-7H,2,5,9-10H2,1H3.
What are the key properties of 3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile?
3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile has a molecular weight of 234.27 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile is sourced from PubChem (CID 62035714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).