4-hydroxy-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide

C14H17F3N2O3 — CID 119821322

IUPAC4-hydroxy-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccccc1OC(F)(F)F)C1CC(O)CN1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)22-12-4-2-1-3-9(12)5-6-18-13(21)11-7-10(20)8-19-11/h1-4,10-11,19-20H,5-8H2,(H,18,21)
InChIKeyBTWGQRQTPVLRDQ-UHFFFAOYSA-N
MW318.29 g/mol
LogP0.97
Rot. Bonds5

About 4-hydroxy-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 119821322) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is 4-hydroxy-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID119821322
Molecular FormulaC14H17F3N2O3
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC Name4-hydroxy-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccccc1OC(F)(F)F)C1CC(O)CN1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)22-12-4-2-1-3-9(12)5-6-18-13(21)11-7-10(20)8-19-11/h1-4,10-11,19-20H,5-8H2,(H,18,21)
InChIKeyBTWGQRQTPVLRDQ-UHFFFAOYSA-N
XLogP0.97
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-N-[2-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125153528
N-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119821343
4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 43120719
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119674415
4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 114332340
(2R,4R)-N-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587807
(2S,4R)-N-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587806
N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43566272
N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 61254584
3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 120502341
(2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943713
4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 62378948

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide (CID 119821322) is 4-hydroxy-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1ccccc1OC(F)(F)F)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is BTWGQRQTPVLRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-14(16,17)22-12-4-2-1-3-9(12)5-6-18-13(21)11-7-10(20)8-19-11/h1-4,10-11,19-20H,5-8H2,(H,18,21).
What are the key properties of 4-hydroxy-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 318.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119821322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).