N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide

C18H15F3N2O2 — CID 7546827

IUPACN-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H15F3N2O2/c19-18(20,21)15-9-5-4-8-14(15)17(25)22-12-10-16(24)23(11-12)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,22,25)/t12-/m0/s1
InChIKeyFOMSLBJQYLMIML-LBPRGKRZSA-N
MW348.32 g/mol
LogP3.24
Rot. Bonds3

About N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide

N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide (PubChem CID 7546827) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
PubChem CID7546827
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC NameN-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H15F3N2O2/c19-18(20,21)15-9-5-4-8-14(15)17(25)22-12-10-16(24)23(11-12)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,22,25)/t12-/m0/s1
InChIKeyFOMSLBJQYLMIML-LBPRGKRZSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546766
2-fluoro-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546765
2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 110736815
N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 7255002
2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7254959
2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563633
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide
CID 16822106
3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546685
2-hydroxy-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
CID 166031134
1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 175838407
3-chloro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 16822090

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide (CID 7546827) is N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide is O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is FOMSLBJQYLMIML-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c19-18(20,21)15-9-5-4-8-14(15)17(25)22-12-10-16(24)23(11-12)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,22,25)/t12-/m0/s1.
What are the key properties of N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 348.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 7546827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).