(2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C14H16ClF3N2O2 — CID 99698023

IUPAC(2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)N1CCC[C@@H]1CO
InChIInChI=1S/C14H16ClF3N2O2/c15-10-5-3-9(4-6-10)12(14(16,17)18)19-13(22)20-7-1-2-11(20)8-21/h3-6,11-12,21H,1-2,7-8H2,(H,19,22)/t11-,12+/m1/s1
InChIKeyFHYZYWOLAOCHKS-NEPJUHHUSA-N
MW336.74 g/mol
LogP3.11
Rot. Bonds3

About (2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 99698023) has the molecular formula C14H16ClF3N2O2 and a molecular weight of 336.74 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID99698023
Molecular FormulaC14H16ClF3N2O2
Molecular Weight336.74 g/mol
Exact Mass336.09
IUPAC Name(2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)N1CCC[C@@H]1CO
InChIInChI=1S/C14H16ClF3N2O2/c15-10-5-3-9(4-6-10)12(14(16,17)18)19-13(22)20-7-1-2-11(20)8-21/h3-6,11-12,21H,1-2,7-8H2,(H,19,22)/t11-,12+/m1/s1
InChIKeyFHYZYWOLAOCHKS-NEPJUHHUSA-N
XLogP3.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.74
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1R)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 99701904
N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427938
(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide
CID 97306489
(2R)-2-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide
CID 75484952
(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide
CID 97306483
(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 14641518
N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427674
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104560
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78942782
4-chloro-2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 61409900
N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428345
2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide
CID 111428204

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 99698023) is (2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)N1CCC[C@@H]1CO.
What is the InChIKey of (2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is FHYZYWOLAOCHKS-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H16ClF3N2O2/c15-10-5-3-9(4-6-10)12(14(16,17)18)19-13(22)20-7-1-2-11(20)8-21/h3-6,11-12,21H,1-2,7-8H2,(H,19,22)/t11-,12+/m1/s1.
What are the key properties of (2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 336.74 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 99698023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).