N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide

C24H22F3N3O2 — CID 55714604

IUPACN-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C24H22F3N3O2/c25-24(26,27)19-6-3-5-18(15-19)21(16-30-14-4-7-22(30)31)28-23(32)17-8-10-20(11-9-17)29-12-1-2-13-29/h1-3,5-6,8-13,15,21H,4,7,14,16H2,(H,28,32)
InChIKeyBMZUDCRNPAGFDD-UHFFFAOYSA-N
MW441.45 g/mol
LogP4.59
Rot. Bonds6

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

N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide (PubChem CID 55714604) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide
PubChem CID55714604
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C24H22F3N3O2/c25-24(26,27)19-6-3-5-18(15-19)21(16-30-14-4-7-22(30)31)28-23(32)17-8-10-20(11-9-17)29-12-1-2-13-29/h1-3,5-6,8-13,15,21H,4,7,14,16H2,(H,28,32)
InChIKeyBMZUDCRNPAGFDD-UHFFFAOYSA-N
XLogP4.59
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide (CID 55714604) is N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide is O=C(NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is BMZUDCRNPAGFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c25-24(26,27)19-6-3-5-18(15-19)21(16-30-14-4-7-22(30)31)28-23(32)17-8-10-20(11-9-17)29-12-1-2-13-29/h1-3,5-6,8-13,15,21H,4,7,14,16H2,(H,28,32).
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide?
N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 441.45 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 55714604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).