N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide

C20H19F3N2O2 — CID 16822152

IUPACN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(N2CC(NC(=O)c3cccc(C(F)(F)F)c3)CC2=O)cc1C
InChIInChI=1S/C20H19F3N2O2/c1-12-6-7-17(8-13(12)2)25-11-16(10-18(25)26)24-19(27)14-4-3-5-15(9-14)20(21,22)23/h3-9,16H,10-11H2,1-2H3,(H,24,27)
InChIKeyGUDKSOCBGIAOFF-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.86
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide

N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 16822152) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
PubChem CID16822152
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC NameN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(N2CC(NC(=O)c3cccc(C(F)(F)F)c3)CC2=O)cc1C
InChIInChI=1S/C20H19F3N2O2/c1-12-6-7-17(8-13(12)2)25-11-16(10-18(25)26)24-19(27)14-4-3-5-15(9-14)20(21,22)23/h3-9,16H,10-11H2,1-2H3,(H,24,27)
InChIKeyGUDKSOCBGIAOFF-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-fluorobenzamide
CID 7547727
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-fluorobenzamide
CID 43970886
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7547623
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
CID 16822243
N-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide
CID 88988726
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 7547797
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzamide
CID 7547730
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 43971113
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 43969606
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 43971351
3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546685
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 43970862

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide (CID 16822152) is N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide is Cc1ccc(N2CC(NC(=O)c3cccc(C(F)(F)F)c3)CC2=O)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is GUDKSOCBGIAOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-12-6-7-17(8-13(12)2)25-11-16(10-18(25)26)24-19(27)14-4-3-5-15(9-14)20(21,22)23/h3-9,16H,10-11H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide?
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 376.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 16822152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).