2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide

C16H23FN2O2 — CID 62030734

IUPAC2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)C(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-5-10-19(11-15(20)18(3)4)12(2)16(21)13-6-8-14(17)9-7-13/h6-9,12H,5,10-11H2,1-4H3
InChIKeyRKVJHUGOKCGQIN-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.20
Rot. Bonds7

About 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide

2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide (PubChem CID 62030734) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide
PubChem CID62030734
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)C(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-5-10-19(11-15(20)18(3)4)12(2)16(21)13-6-8-14(17)9-7-13/h6-9,12H,5,10-11H2,1-4H3
InChIKeyRKVJHUGOKCGQIN-UHFFFAOYSA-N
XLogP2.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]-ethylamino]-N,N-dimethylacetamide
CID 62035540
2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide
CID 62037090
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
1-(3,4-difluorophenyl)-2-[ethyl(propyl)amino]propan-1-one
CID 43795368
2-[(1-hydrazinyl-1-oxopropan-2-yl)-propylamino]-N,N-dimethylacetamide
CID 63578798
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
CID 62037415
1-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride
CID 23616853
4-fluoro-N-methyl-N-propylbenzamide
CID 60928889
2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide
CID 62053086
2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone
CID 43795952
[2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2115637
ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55024464

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide (CID 62030734) is 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)C(C)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide?
The InChIKey is RKVJHUGOKCGQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-5-10-19(11-15(20)18(3)4)12(2)16(21)13-6-8-14(17)9-7-13/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide?
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide has a molecular weight of 294.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 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]-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 62030734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).