2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide

C20H21F3N2O — CID 95714521

IUPAC2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)c1ccccc1[C@H]1CCNC1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)16-5-3-4-14(12-16)8-11-25-19(26)18-7-2-1-6-17(18)15-9-10-24-13-15/h1-7,12,15,24H,8-11,13H2,(H,25,26)/t15-/m0/s1
InChIKeyPDMPLQLHAKBSJF-HNNXBMFYSA-N
MW362.40 g/mol
LogP3.75
Rot. Bonds5

About 2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide

2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 95714521) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID95714521
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)c1ccccc1[C@H]1CCNC1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)16-5-3-4-14(12-16)8-11-25-19(26)18-7-2-1-6-17(18)15-9-10-24-13-15/h1-7,12,15,24H,8-11,13H2,(H,25,26)/t15-/m0/s1
InChIKeyPDMPLQLHAKBSJF-HNNXBMFYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168
2-(1,2,4-triazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119060222
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide
CID 95707440
2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 95725926
3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine
CID 116996854
2-pyrrolidin-3-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 56905504
1-(pyrrolidin-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 117235427
N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119558465
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide
CID 56913832
N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56895276
N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 11210227
(3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95725925

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 95714521) is 2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide is O=C(NCCc1cccc(C(F)(F)F)c1)c1ccccc1[C@H]1CCNC1.
What is the InChIKey of 2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is PDMPLQLHAKBSJF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c21-20(22,23)16-5-3-4-14(12-16)8-11-25-19(26)18-7-2-1-6-17(18)15-9-10-24-13-15/h1-7,12,15,24H,8-11,13H2,(H,25,26)/t15-/m0/s1.
What are the key properties of 2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 362.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 95714521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).