4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

C22H23F3N2O3 — CID 55714545

IUPAC4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCOCc1ccc(C(=O)NC(CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H23F3N2O3/c1-30-14-15-7-9-16(10-8-15)21(29)26-19(13-27-11-3-6-20(27)28)17-4-2-5-18(12-17)22(23,24)25/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H,26,29)
InChIKeyKOOFPQVHTGYSOU-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.95
Rot. Bonds7

About 4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 55714545) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID55714545
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Name4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCOCc1ccc(C(=O)NC(CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H23F3N2O3/c1-30-14-15-7-9-16(10-8-15)21(29)26-19(13-27-11-3-6-20(27)28)17-4-2-5-18(12-17)22(23,24)25/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H,26,29)
InChIKeyKOOFPQVHTGYSOU-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide
CID 55714604
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51948068
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 94118048
N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide
CID 86966069
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 94118050
N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(propylsulfonylamino)benzamide
CID 55714634
2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide
CID 86834039
(2R)-2-methylsulfanyl-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51953556
3-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 55714668
4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 47036069
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide
CID 94198349
3-methyl-4-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55962252

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 55714545) is 4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is COCc1ccc(C(=O)NC(CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is KOOFPQVHTGYSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c1-30-14-15-7-9-16(10-8-15)21(29)26-19(13-27-11-3-6-20(27)28)17-4-2-5-18(12-17)22(23,24)25/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H,26,29).
What are the key properties of 4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 420.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 55714545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).