2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide

C14H19FN2O2 — CID 62037419

IUPAC2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)c1ccccc1F
InChIInChI=1S/C14H19FN2O2/c1-3-8-16-14(19)10-17(2)9-13(18)11-6-4-5-7-12(11)15/h4-7H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyCADCFPHIGMTDSL-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.47
Rot. Bonds7

About 2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide

2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide (PubChem CID 62037419) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
PubChem CID62037419
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)c1ccccc1F
InChIInChI=1S/C14H19FN2O2/c1-3-8-16-14(19)10-17(2)9-13(18)11-6-4-5-7-12(11)15/h4-7H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyCADCFPHIGMTDSL-UHFFFAOYSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60680062
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
N-butyl-4-(2-fluorophenyl)-4-oxobutanamide
CID 110406683
2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60679933
2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide
CID 9302823
2-[[2-(3-chlorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 62037418
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide
CID 107113242
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302840
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide
CID 30391962
1-(2-fluorophenyl)pentane-1,3-dione
CID 28896114
2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide (CID 62037419) is 2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)CC(=O)c1ccccc1F.
What is the InChIKey of 2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide?
The InChIKey is CADCFPHIGMTDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-3-8-16-14(19)10-17(2)9-13(18)11-6-4-5-7-12(11)15/h4-7H,3,8-10H2,1-2H3,(H,16,19).
What are the key properties of 2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide?
2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide has a molecular weight of 266.32 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 62037419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).