3-(2-ethylphenyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C15H19F3N2O — CID 175379159

IUPAC3-(2-ethylphenyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCCc1ccccc1C1CN(C(N)=O)CC1CC(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-2-10-5-3-4-6-12(10)13-9-20(14(19)21)8-11(13)7-15(16,17)18/h3-6,11,13H,2,7-9H2,1H3,(H2,19,21)
InChIKeyCJELOGXRXKAXIH-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.30
Rot. Bonds3

About 3-(2-ethylphenyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

3-(2-ethylphenyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 175379159) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-ethylphenyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID175379159
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name3-(2-ethylphenyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCCc1ccccc1C1CN(C(N)=O)CC1CC(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-2-10-5-3-4-6-12(10)13-9-20(14(19)21)8-11(13)7-15(16,17)18/h3-6,11,13H,2,7-9H2,1H3,(H2,19,21)
InChIKeyCJELOGXRXKAXIH-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2-ethylphenyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 175379159) is 3-(2-ethylphenyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2-ethylphenyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2-ethylphenyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CCc1ccccc1C1CN(C(N)=O)CC1CC(F)(F)F.
What is the InChIKey of 3-(2-ethylphenyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is CJELOGXRXKAXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-2-10-5-3-4-6-12(10)13-9-20(14(19)21)8-11(13)7-15(16,17)18/h3-6,11,13H,2,7-9H2,1H3,(H2,19,21).
What are the key properties of 3-(2-ethylphenyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
3-(2-ethylphenyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 175379159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).