(2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide

C16H19F3N2O3 — CID 97018652

IUPAC(2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide
SMILESCC[C@H](CNC(=O)[C@H]1CCC(=O)N1)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C16H19F3N2O3/c1-2-10(9-20-15(23)12-7-8-14(22)21-12)24-13-6-4-3-5-11(13)16(17,18)19/h3-6,10,12H,2,7-9H2,1H3,(H,20,23)(H,21,22)/t10-,12-/m1/s1
InChIKeyAFPHHODEZGKMSS-ZYHUDNBSSA-N
MW344.33 g/mol
LogP2.26
Rot. Bonds6

About (2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide

(2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide (PubChem CID 97018652) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is (2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide
PubChem CID97018652
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name(2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide
SMILESCC[C@H](CNC(=O)[C@H]1CCC(=O)N1)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C16H19F3N2O3/c1-2-10(9-20-15(23)12-7-8-14(22)21-12)24-13-6-4-3-5-11(13)16(17,18)19/h3-6,10,12H,2,7-9H2,1H3,(H,20,23)(H,21,22)/t10-,12-/m1/s1
InChIKeyAFPHHODEZGKMSS-ZYHUDNBSSA-N
XLogP2.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide
CID 119344757
N-[2-[2-(trifluoromethyl)phenoxy]butyl]-1,3-thiazolidine-4-carboxamide
CID 119344747
N-[(2S)-2-[2-(trifluoromethyl)phenoxy]butyl]oxane-4-carboxamide
CID 97016575
(2S,5R)-5-(aminomethyl)-N-[2-[2-(trifluoromethyl)phenoxy]butyl]oxolane-2-carboxamide;hydrochloride
CID 120796477
(2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 95059523
N-[2-(2-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 110445241
(2S)-2-amino-4-methylsulfanyl-N-[2-[2-(trifluoromethyl)phenoxy]butyl]butanamide;hydrochloride
CID 119344754
N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110689662
N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide
CID 63731996
N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110462101
N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide
CID 119340528
N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110663932

Frequently Asked Questions

What is the IUPAC name of (2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide (CID 97018652) is (2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide is CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)Oc1ccccc1C(F)(F)F.
What is the InChIKey of (2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide?
The InChIKey is AFPHHODEZGKMSS-ZYHUDNBSSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-2-10(9-20-15(23)12-7-8-14(22)21-12)24-13-6-4-3-5-11(13)16(17,18)19/h3-6,10,12H,2,7-9H2,1H3,(H,20,23)(H,21,22)/t10-,12-/m1/s1.
What are the key properties of (2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide?
(2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 97018652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).