3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide

C22H26F3N3O2 — CID 169229833

IUPAC3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NC2CCNC2=O)c(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C22H26F3N3O2/c1-21(2,3)17-12-14(6-9-18(29)27-16-10-11-26-20(16)30)19(28-17)13-4-7-15(8-5-13)22(23,24)25/h4-5,7-8,12,16,28H,6,9-11H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyQNEFEJRSNSBRPV-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.94
Rot. Bonds5

About 3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide

3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide (PubChem CID 169229833) has the molecular formula C22H26F3N3O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide
PubChem CID169229833
Molecular FormulaC22H26F3N3O2
Molecular Weight421.46 g/mol
Exact Mass421.20
IUPAC Name3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NC2CCNC2=O)c(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C22H26F3N3O2/c1-21(2,3)17-12-14(6-9-18(29)27-16-10-11-26-20(16)30)19(28-17)13-4-7-15(8-5-13)22(23,24)25/h4-5,7-8,12,16,28H,6,9-11H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyQNEFEJRSNSBRPV-UHFFFAOYSA-N
XLogP3.94
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide?
The IUPAC name of 3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide (CID 169229833) is 3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide is CC(C)(C)c1cc(CCC(=O)NC2CCNC2=O)c(-c2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide?
The InChIKey is QNEFEJRSNSBRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O2/c1-21(2,3)17-12-14(6-9-18(29)27-16-10-11-26-20(16)30)19(28-17)13-4-7-15(8-5-13)22(23,24)25/h4-5,7-8,12,16,28H,6,9-11H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide?
3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide has a molecular weight of 421.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide is sourced from PubChem (CID 169229833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).