3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide

C14H17FN2O2 — CID 94694137

IUPAC3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide
SMILESCOc1ccc(F)cc1CCN(C)C(=O)CCC#N
InChIInChI=1S/C14H17FN2O2/c1-17(14(18)4-3-8-16)9-7-11-10-12(15)5-6-13(11)19-2/h5-6,10H,3-4,7,9H2,1-2H3
InChIKeyFHVOAHNKJKNIDI-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.14
Rot. Bonds6

About 3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide

3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide (PubChem CID 94694137) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide
PubChem CID94694137
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide
SMILESCOc1ccc(F)cc1CCN(C)C(=O)CCC#N
InChIInChI=1S/C14H17FN2O2/c1-17(14(18)4-3-8-16)9-7-11-10-12(15)5-6-13(11)19-2/h5-6,10H,3-4,7,9H2,1-2H3
InChIKeyFHVOAHNKJKNIDI-UHFFFAOYSA-N
XLogP2.14
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]propanenitrile
CID 115231191
3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115154397
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 115230942
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94685610
2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 115173346
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042003
3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide
CID 115139401
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128249
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129680
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 112518374
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-hydroxy-N-methylpropanamide
CID 115139416

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide?
The IUPAC name of 3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide (CID 94694137) is 3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide is COc1ccc(F)cc1CCN(C)C(=O)CCC#N.
What is the InChIKey of 3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide?
The InChIKey is FHVOAHNKJKNIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-17(14(18)4-3-8-16)9-7-11-10-12(15)5-6-13(11)19-2/h5-6,10H,3-4,7,9H2,1-2H3.
What are the key properties of 3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide?
3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide has a molecular weight of 264.30 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 94694137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).