2,2-dimethyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide

C21H25F3N2O — CID 7287746

About 2,2-dimethyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide

2,2-dimethyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide (PubChem CID 7287746) has the molecular formula C21H25F3N2O and a molecular weight of 378.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide
• PubChem CID: 7287746
• Molecular Formula: C21H25F3N2O
• Molecular Weight: 378.44 g/mol
• Exact Mass: 378.19
• IUPAC Name: 2,2-dimethyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide
• SMILES: C=CCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)C(=O)C(C)(C)C
• InChI: InChI=1S/C21H25F3N2O/c1-5-11-26(19(27)20(2,3)4)15-18-10-7-12-25(18)14-16-8-6-9-17(13-16)21(22,23)24/h5-10,12-13H,1,11,14-15H2,2-4H3
• InChIKey: GFTBZEQLPYRRFU-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 25.24 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.44
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide (CID 7287746) is 2,2-dimethyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide is C=CCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)C(=O)C(C)(C)C.

What is the InChIKey of 2,2-dimethyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide?

The InChIKey is GFTBZEQLPYRRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O/c1-5-11-26(19(27)20(2,3)4)15-18-10-7-12-25(18)14-16-8-6-9-17(13-16)21(22,23)24/h5-10,12-13H,1,11,14-15H2,2-4H3.

What are the key properties of 2,2-dimethyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide?

2,2-dimethyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide has a molecular weight of 378.44 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide is sourced from PubChem (CID 7287746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).