(2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide

C14H15F3N2O2 — CID 124606525

IUPAC(2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)10-5-2-1-4-9(10)8-12(20)19-7-3-6-11(19)13(18)21/h1-2,4-5,11H,3,6-8H2,(H2,18,21)/t11-/m1/s1
InChIKeyAQVNAVXQESPGFB-LLVKDONJSA-N
MW300.28 g/mol
LogP1.72
Rot. Bonds3

About (2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide

(2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide (PubChem CID 124606525) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is (2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide
PubChem CID124606525
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name(2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)10-5-2-1-4-9(10)8-12(20)19-7-3-6-11(19)13(18)21/h1-2,4-5,11H,3,6-8H2,(H2,18,21)/t11-/m1/s1
InChIKeyAQVNAVXQESPGFB-LLVKDONJSA-N
XLogP1.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 71692047
(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 95146043
1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 14810975
(2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 136582585
1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
CID 79884124
1-(4-methoxyazepan-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 136522526
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 60519923
1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 3958537
(3R,8aR)-3-methyl-2-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137337538
1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 175878208
1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-2-carboxylic acid
CID 119355551
(2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide
CID 143897244

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide (CID 124606525) is (2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of (2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is AQVNAVXQESPGFB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)10-5-2-1-4-9(10)8-12(20)19-7-3-6-11(19)13(18)21/h1-2,4-5,11H,3,6-8H2,(H2,18,21)/t11-/m1/s1.
What are the key properties of (2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide?
(2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 300.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 124606525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).