1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C20H19F3N2O2 — CID 18225532

IUPAC1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1C
InChIInChI=1S/C20H19F3N2O2/c1-12-5-3-8-17(13(12)2)25-11-14(9-18(25)26)19(27)24-16-7-4-6-15(10-16)20(21,22)23/h3-8,10,14H,9,11H2,1-2H3,(H,24,27)
InChIKeyFOEMVQPNSHVPJQ-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.31
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 18225532) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID18225532
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1C
InChIInChI=1S/C20H19F3N2O2/c1-12-5-3-8-17(13(12)2)25-11-14(9-18(25)26)19(27)24-16-7-4-6-15(10-16)20(21,22)23/h3-8,10,14H,9,11H2,1-2H3,(H,24,27)
InChIKeyFOEMVQPNSHVPJQ-UHFFFAOYSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(3-acetamidophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92719769
1-(3-chloro-2-methylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113187538
N-(3-acetamido-4-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55746681
(3R)-1-(4-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 1103942
(3S)-1-(3-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 9004872
(3R)-1-(4-bromophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 1109938
(3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8712792
(3S)-N-(3-fluorophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350856
5-oxo-1-(4-propan-2-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 2925576
(3R)-N-(4-bromo-3-chlorophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529072
3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056299
1-(2,3-dimethylphenyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 46585095

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 18225532) is 1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is FOEMVQPNSHVPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-12-5-3-8-17(13(12)2)25-11-14(9-18(25)26)19(27)24-16-7-4-6-15(10-16)20(21,22)23/h3-8,10,14H,9,11H2,1-2H3,(H,24,27).
What are the key properties of 1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 18225532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).