2-methyl-1-[3-(methylamino)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

C23H24F3N3O — CID 66575133

IUPAC2-methyl-1-[3-(methylamino)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCNCCCn1c(-c2ccccc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C23H24F3N3O/c1-16-20(22(30)28-19-11-6-10-18(14-19)23(24,25)26)15-21(17-8-4-3-5-9-17)29(16)13-7-12-27-2/h3-6,8-11,14-15,27H,7,12-13H2,1-2H3,(H,28,30)
InChIKeyUDRDOMKPKRJRIH-UHFFFAOYSA-N
MW415.46 g/mol
LogP5.34
Rot. Bonds7

About 2-methyl-1-[3-(methylamino)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

2-methyl-1-[3-(methylamino)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (PubChem CID 66575133) has the molecular formula C23H24F3N3O and a molecular weight of 415.46 g/mol. Its IUPAC name is 2-methyl-1-[3-(methylamino)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-[3-(methylamino)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
PubChem CID66575133
Molecular FormulaC23H24F3N3O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC Name2-methyl-1-[3-(methylamino)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCNCCCn1c(-c2ccccc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C23H24F3N3O/c1-16-20(22(30)28-19-11-6-10-18(14-19)23(24,25)26)15-21(17-8-4-3-5-9-17)29(16)13-7-12-27-2/h3-6,8-11,14-15,27H,7,12-13H2,1-2H3,(H,28,30)
InChIKeyUDRDOMKPKRJRIH-UHFFFAOYSA-N
XLogP5.34
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(methylamino)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-1-[3-(methylamino)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (CID 66575133) is 2-methyl-1-[3-(methylamino)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-1-[3-(methylamino)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-1-[3-(methylamino)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is CNCCCn1c(-c2ccccc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of 2-methyl-1-[3-(methylamino)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The InChIKey is UDRDOMKPKRJRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O/c1-16-20(22(30)28-19-11-6-10-18(14-19)23(24,25)26)15-21(17-8-4-3-5-9-17)29(16)13-7-12-27-2/h3-6,8-11,14-15,27H,7,12-13H2,1-2H3,(H,28,30).
What are the key properties of 2-methyl-1-[3-(methylamino)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
2-methyl-1-[3-(methylamino)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(methylamino)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 66575133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).