2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide

C15H21FN2O2 — CID 62037415

IUPAC2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-4-9-17-14(19)10-18(3)11(2)15(20)12-5-7-13(16)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyQDVSGQMVXDGDNK-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.85
Rot. Bonds7

About 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide

2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide (PubChem CID 62037415) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
PubChem CID62037415
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-4-9-17-14(19)10-18(3)11(2)15(20)12-5-7-13(16)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyQDVSGQMVXDGDNK-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9356943
(2R)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9356945
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
CID 62037610
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
CID 62037462
2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide
CID 60503075
(2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9302580
2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide
CID 78940287
(2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9302665
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide
CID 62030734
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide
CID 60540976
[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 9458350

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide (CID 62037415) is 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)C(C)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide?
The InChIKey is QDVSGQMVXDGDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-4-9-17-14(19)10-18(3)11(2)15(20)12-5-7-13(16)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H,17,19).
What are the key properties of 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide?
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide has a molecular weight of 280.34 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 62037415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).