2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide

C15H21FN2O2 — CID 62034961

IUPAC2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)Cc1ccc(F)cc1)CC(=O)N(C)C
InChIInChI=1S/C15H21FN2O2/c1-4-18(11-15(20)17(2)3)10-14(19)9-12-5-7-13(16)8-6-12/h5-8H,4,9-11H2,1-3H3
InChIKeyIISZHRHAYQGBSJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.35
Rot. Bonds7

About 2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide

2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide (PubChem CID 62034961) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide
PubChem CID62034961
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)Cc1ccc(F)cc1)CC(=O)N(C)C
InChIInChI=1S/C15H21FN2O2/c1-4-18(11-15(20)17(2)3)10-14(19)9-12-5-7-13(16)8-6-12/h5-8H,4,9-11H2,1-3H3
InChIKeyIISZHRHAYQGBSJ-UHFFFAOYSA-N
XLogP1.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 63955214
2-[ethyl-[(5-fluoro-2-hydroxyphenyl)methyl]amino]-N,N-dimethylacetamide
CID 103947530
2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide
CID 114233158
1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 43795966
1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 81058187
2-[cyanomethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]acetonitrile
CID 62051345
1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one
CID 62052606
2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide
CID 47053554
1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one
CID 79389969
2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide
CID 62036895
1-(dimethylamino)-3-(4-ethylphenyl)propan-2-one
CID 79077220
2-[(4-aminophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 43458823

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide (CID 62034961) is 2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide is CCN(CC(=O)Cc1ccc(F)cc1)CC(=O)N(C)C.
What is the InChIKey of 2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide?
The InChIKey is IISZHRHAYQGBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-4-18(11-15(20)17(2)3)10-14(19)9-12-5-7-13(16)8-6-12/h5-8H,4,9-11H2,1-3H3.
What are the key properties of 2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide?
2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide has a molecular weight of 280.34 g/mol, XLogP of 1.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 62034961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).