4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide

C17H21F3N2O2 — CID 119805133

IUPAC4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)C1CC(O)CN1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)12-4-1-3-11(7-12)16(5-2-6-16)10-22-15(24)14-8-13(23)9-21-14/h1,3-4,7,13-14,21,23H,2,5-6,8-10H2,(H,22,24)
InChIKeyGAOXZCVYOOYYRP-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.97
Rot. Bonds4

About 4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 119805133) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide
PubChem CID119805133
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)C1CC(O)CN1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)12-4-1-3-11(7-12)16(5-2-6-16)10-22-15(24)14-8-13(23)9-21-14/h1,3-4,7,13-14,21,23H,2,5-6,8-10H2,(H,22,24)
InChIKeyGAOXZCVYOOYYRP-UHFFFAOYSA-N
XLogP1.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976448
4-hydroxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119780127
(2S,4S)-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120630724
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119805118
(2S,4S)-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124703602
2-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]acetamide
CID 119805131
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride
CID 119752290
(2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 74230276
1-N'-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1,1-dicarboxamide
CID 75373653
4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119780053
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 119805107
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide
CID 119805139

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide (CID 119805133) is 4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide is O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is GAOXZCVYOOYYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c18-17(19,20)12-4-1-3-11(7-12)16(5-2-6-16)10-22-15(24)14-8-13(23)9-21-14/h1,3-4,7,13-14,21,23H,2,5-6,8-10H2,(H,22,24).
What are the key properties of 4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119805133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).