2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide

C14H19FN2O2 — CID 62036895

IUPAC2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)c1cccc(F)c1)CC(=O)N(C)C
InChIInChI=1S/C14H19FN2O2/c1-4-17(10-14(19)16(2)3)9-13(18)11-6-5-7-12(15)8-11/h5-8H,4,9-10H2,1-3H3
InChIKeyWZDRHLOKUOTODS-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.42
Rot. Bonds6

About 2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide

2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide (PubChem CID 62036895) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide
PubChem CID62036895
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)c1cccc(F)c1)CC(=O)N(C)C
InChIInChI=1S/C14H19FN2O2/c1-4-17(10-14(19)16(2)3)9-13(18)11-6-5-7-12(15)8-11/h5-8H,4,9-10H2,1-3H3
InChIKeyWZDRHLOKUOTODS-UHFFFAOYSA-N
XLogP1.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone
CID 43795891
2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone
CID 54949360
2-[ethyl(furan-2-ylmethyl)amino]-1-(3-fluorophenyl)ethanone
CID 62037198
2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide
CID 62036311
2-(N-ethylanilino)-1-(3-fluorophenyl)ethanone
CID 43227492
1-(3-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010701
1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796075
2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide
CID 62037280
2-[ethyl-[(5-fluoro-2-hydroxyphenyl)methyl]amino]-N,N-dimethylacetamide
CID 103947530
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone
CID 55010646
1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone
CID 112662027
2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide
CID 62034961

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide (CID 62036895) is 2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide is CCN(CC(=O)c1cccc(F)c1)CC(=O)N(C)C.
What is the InChIKey of 2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide?
The InChIKey is WZDRHLOKUOTODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-4-17(10-14(19)16(2)3)9-13(18)11-6-5-7-12(15)8-11/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide?
2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide has a molecular weight of 266.32 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 62036895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).