2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide

C15H20FN3O — CID 103758312

IUPAC2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1ccc(F)c(C#N)c1
InChIInChI=1S/C15H20FN3O/c1-4-19(5-2)15(20)11-18(3)10-12-6-7-14(16)13(8-12)9-17/h6-8H,4-5,10-11H2,1-3H3
InChIKeyLJZWOBSKZVFZTO-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.00
Rot. Bonds6

About 2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide

2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide (PubChem CID 103758312) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide
PubChem CID103758312
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1ccc(F)c(C#N)c1
InChIInChI=1S/C15H20FN3O/c1-4-19(5-2)15(20)11-18(3)10-12-6-7-14(16)13(8-12)9-17/h6-8H,4-5,10-11H2,1-3H3
InChIKeyLJZWOBSKZVFZTO-UHFFFAOYSA-N
XLogP2.00
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
CID 107878250
2-fluoro-5-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzonitrile
CID 103758318
2-fluoro-5-[[2-hydroxypropyl(methyl)amino]methyl]benzonitrile
CID 103758717
2-fluoro-5-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]benzonitrile
CID 107883048
2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60693832
2-fluoro-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]benzonitrile
CID 113256156
N,N-diethyl-2-[(4-hydroxyphenyl)methyl-methylamino]acetamide
CID 82973362
2-[(3-cyano-4-fluorophenyl)methyl-methylamino]propanoic acid
CID 107882902
2-fluoro-5-[[3-methoxypropyl(methyl)amino]methyl]benzonitrile
CID 103758430
2-[(3-cyano-4-fluorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 107781579
5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile
CID 103758364
2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile
CID 103758567

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide (CID 103758312) is 2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)Cc1ccc(F)c(C#N)c1.
What is the InChIKey of 2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide?
The InChIKey is LJZWOBSKZVFZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-4-19(5-2)15(20)11-18(3)10-12-6-7-14(16)13(8-12)9-17/h6-8H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide?
2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide has a molecular weight of 277.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 103758312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).