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

C21H21F3N2O2 — CID 51195842

IUPAC4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C21H21F3N2O2/c22-21(23,24)18-9-5-15(6-10-18)11-12-25-20(28)17-7-3-16(4-8-17)14-26-13-1-2-19(26)27/h3-10H,1-2,11-14H2,(H,25,28)
InChIKeyYYIJTDDSAIWFGH-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.80
Rot. Bonds6

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

4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 51195842) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID51195842
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C21H21F3N2O2/c22-21(23,24)18-9-5-15(6-10-18)11-12-25-20(28)17-7-3-16(4-8-17)14-26-13-1-2-19(26)27/h3-10H,1-2,11-14H2,(H,25,28)
InChIKeyYYIJTDDSAIWFGH-UHFFFAOYSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid
CID 119137095
N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32686719
N-[3-(dimethylamino)propyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 43910375
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 56521457
4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119285773
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide
CID 47013997
N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 47232606
3,4-dimethyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 96545359
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 86944964
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
4-(methoxymethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 30843162

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 51195842) is 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is YYIJTDDSAIWFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c22-21(23,24)18-9-5-15(6-10-18)11-12-25-20(28)17-7-3-16(4-8-17)14-26-13-1-2-19(26)27/h3-10H,1-2,11-14H2,(H,25,28).
What are the key properties of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 390.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 51195842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).