2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide

C18H17F3N2O2 — CID 95725926

IUPAC2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1[C@@H]1CCNC1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)25-14-5-3-4-13(10-14)23-17(24)16-7-2-1-6-15(16)12-8-9-22-11-12/h1-7,10,12,22H,8-9,11H2,(H,23,24)/t12-/m1/s1
InChIKeyBSCFHBURCDOLTD-GFCCVEGCSA-N
MW350.34 g/mol
LogP3.91
Rot. Bonds4

About 2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide

2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 95725926) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID95725926
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1[C@@H]1CCNC1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)25-14-5-3-4-13(10-14)23-17(24)16-7-2-1-6-15(16)12-8-9-22-11-12/h1-7,10,12,22H,8-9,11H2,(H,23,24)/t12-/m1/s1
InChIKeyBSCFHBURCDOLTD-GFCCVEGCSA-N
XLogP3.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
N-[4-(1H-pyrazol-4-yl)phenyl]-2-[(3R)-pyrrolidin-3-yl]benzamide
CID 95708930
5-fluoro-2-hydroxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 155535033
(2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide
CID 142479947
2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 95714521
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38032669
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide
CID 95720866
N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 59014806
2-hydroxy-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38204734
5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034888

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide (CID 95725926) is 2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1[C@@H]1CCNC1.
What is the InChIKey of 2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is BSCFHBURCDOLTD-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-18(20,21)25-14-5-3-4-13(10-14)23-17(24)16-7-2-1-6-15(16)12-8-9-22-11-12/h1-7,10,12,22H,8-9,11H2,(H,23,24)/t12-/m1/s1.
What are the key properties of 2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide?
2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 350.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 95725926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).