(3R)-1-ethyl-5-oxo-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide

C16H19F3N2O3 — CID 97190159

IUPAC(3R)-1-ethyl-5-oxo-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)NCCc2ccccc2OC(F)(F)F)CC1=O
InChIInChI=1S/C16H19F3N2O3/c1-2-21-10-12(9-14(21)22)15(23)20-8-7-11-5-3-4-6-13(11)24-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyVYZVJMUOJYEFGV-GFCCVEGCSA-N
MW344.33 g/mol
LogP2.11
Rot. Bonds6

About (3R)-1-ethyl-5-oxo-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide

(3R)-1-ethyl-5-oxo-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide (PubChem CID 97190159) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is (3R)-1-ethyl-5-oxo-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethyl-5-oxo-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide
PubChem CID97190159
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name(3R)-1-ethyl-5-oxo-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)NCCc2ccccc2OC(F)(F)F)CC1=O
InChIInChI=1S/C16H19F3N2O3/c1-2-21-10-12(9-14(21)22)15(23)20-8-7-11-5-3-4-6-13(11)24-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyVYZVJMUOJYEFGV-GFCCVEGCSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 4053755
N-(2-(2-Methoxyphenyl)ethyl)butanamide
CID 10059376
N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 10420555
2,2,2-Trifluoro-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 19710275
N-{3-[butyl(methyl)amino]propyl}-1-(4-methoxybenzyl)-5-oxopyrrolidine-3-carboxamide
CID 3239400
N-[4-(2-methoxyphenyl)butyl]butanamide
CID 10562588
N-[4-(2-methoxyphenyl)butyl]propanamide
CID 10585853
1-[2-(3-fluorophenyl)ethyl]-N-[3-(2-methoxyphenyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24793041
N-[2-(2-methoxyphenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)-2-piperazinyl]acetamide
CID 24816910
N-[(2-methoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 24817705
N-(4-(trifluoromethoxy)benzyl)pyrrolidine-3-carboxamide
CID 46884037
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 56665222

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-5-oxo-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-ethyl-5-oxo-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide (CID 97190159) is (3R)-1-ethyl-5-oxo-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethyl-5-oxo-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethyl-5-oxo-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide is CCN1C[C@H](C(=O)NCCc2ccccc2OC(F)(F)F)CC1=O.
What is the InChIKey of (3R)-1-ethyl-5-oxo-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is VYZVJMUOJYEFGV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-2-21-10-12(9-14(21)22)15(23)20-8-7-11-5-3-4-6-13(11)24-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H,20,23)/t12-/m1/s1.
What are the key properties of (3R)-1-ethyl-5-oxo-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide?
(3R)-1-ethyl-5-oxo-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-5-oxo-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97190159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).