2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide

C13H15F3N2O — CID 83072170

IUPAC2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2c(F)cc(F)cc2F)CCCN1
InChIInChI=1S/C13H15F3N2O/c1-2-13(4-3-5-17-13)12(19)18-11-9(15)6-8(14)7-10(11)16/h6-7,17H,2-5H2,1H3,(H,18,19)
InChIKeyVHMXYNMNWCGDBW-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.57
Rot. Bonds3

About 2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide

2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 83072170) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
PubChem CID83072170
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2c(F)cc(F)cc2F)CCCN1
InChIInChI=1S/C13H15F3N2O/c1-2-13(4-3-5-17-13)12(19)18-11-9(15)6-8(14)7-10(11)16/h6-7,17H,2-5H2,1H3,(H,18,19)
InChIKeyVHMXYNMNWCGDBW-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 83080609
N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071591
2-ethyl-N-(2-fluoro-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 83071836
N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080071
2-ethyl-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 83080160
N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide
CID 107625898
N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide
CID 83063094
2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 83073858
2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 83079723
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83080092
(2R)-2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 129381268
2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 83080161

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide (CID 83072170) is 2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide is CCC1(C(=O)Nc2c(F)cc(F)cc2F)CCCN1.
What is the InChIKey of 2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is VHMXYNMNWCGDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-2-13(4-3-5-17-13)12(19)18-11-9(15)6-8(14)7-10(11)16/h6-7,17H,2-5H2,1H3,(H,18,19).
What are the key properties of 2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide?
2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 272.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83072170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).