2-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide

C15H20FN3O — CID 103760678

IUPAC2-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1cc(F)ccc1C#N
InChIInChI=1S/C15H20FN3O/c1-4-7-19(11-15(20)18(2)3)10-13-8-14(16)6-5-12(13)9-17/h5-6,8H,4,7,10-11H2,1-3H3
InChIKeyLKBGPFTZWAODJO-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.00
Rot. Bonds6

About 2-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide

2-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide (PubChem CID 103760678) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide
PubChem CID103760678
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1cc(F)ccc1C#N
InChIInChI=1S/C15H20FN3O/c1-4-7-19(11-15(20)18(2)3)10-13-8-14(16)6-5-12(13)9-17/h5-6,8H,4,7,10-11H2,1-3H3
InChIKeyLKBGPFTZWAODJO-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-[(4-cyano-3-methoxyphenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 106788123
2-[ethyl-[(5-fluoro-2-hydroxyphenyl)methyl]amino]-N,N-dimethylacetamide
CID 103947530
3-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-4-fluorobenzoic acid
CID 107452233
2-[(dimethylamino)methyl]-4-fluorobenzonitrile
CID 59429384
2-(3-bromo-4-cyano-N-propylanilino)-N,N-dimethylacetamide
CID 107276141
2-[[cyanomethyl(ethyl)amino]methyl]-4-fluorobenzonitrile
CID 103760707
2-[(3-cyanophenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 54978960
2-[[benzyl(ethyl)amino]methyl]-4-fluorobenzonitrile
CID 103760548
2-[(4-chloro-N-propylanilino)methyl]-4-fluorobenzonitrile
CID 135144505
4-fluoro-2-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106636161
2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide
CID 111564982
2-(bromomethyl)-4-fluorobenzonitrile;ethane
CID 144867775

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide (CID 103760678) is 2-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)Cc1cc(F)ccc1C#N.
What is the InChIKey of 2-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide?
The InChIKey is LKBGPFTZWAODJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-4-7-19(11-15(20)18(2)3)10-13-8-14(16)6-5-12(13)9-17/h5-6,8H,4,7,10-11H2,1-3H3.
What are the key properties of 2-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide?
2-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide 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-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 103760678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).