1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide

C15H19F3N2O3 — CID 111102933

IUPAC1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1CC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)10-3-1-4-12(7-10)23-9-11(21)8-20-6-2-5-13(20)14(19)22/h1,3-4,7,11,13,21H,2,5-6,8-9H2,(H2,19,22)
InChIKeyCCIHEJWNACEJGB-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.39
Rot. Bonds6

About 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide

1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide (PubChem CID 111102933) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide
PubChem CID111102933
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1CC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)10-3-1-4-12(7-10)23-9-11(21)8-20-6-2-5-13(20)14(19)22/h1,3-4,7,11,13,21H,2,5-6,8-9H2,(H2,19,22)
InChIKeyCCIHEJWNACEJGB-UHFFFAOYSA-N
XLogP1.39
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 124735118
1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 110882119
1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone
CID 110906728
1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 75402215
1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 110906834
1-(2,6-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 59563443
1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 111448372
(2S)-1-[(2S)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrrolidine-2-carboxamide
CID 124784992
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperidine-3-carboxamide
CID 119304982
2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117245508
2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117246043
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide (CID 111102933) is 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1CC(O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide?
The InChIKey is CCIHEJWNACEJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c16-15(17,18)10-3-1-4-12(7-10)23-9-11(21)8-20-6-2-5-13(20)14(19)22/h1,3-4,7,11,13,21H,2,5-6,8-9H2,(H2,19,22).
What are the key properties of 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide?
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 111102933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).