3-(furan-2-yl)-4-methyl-N-pentyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide

C23H25F3N2O2 — CID 66882605

IUPAC3-(furan-2-yl)-4-methyl-N-pentyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
SMILESCCCCCNC(=O)c1c(-c2ccco2)c(C)cn1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H25F3N2O2/c1-3-4-5-12-27-22(29)21-20(19-7-6-13-30-19)16(2)14-28(21)15-17-8-10-18(11-9-17)23(24,25)26/h6-11,13-14H,3-5,12,15H2,1-2H3,(H,27,29)
InChIKeyNNGPQHJFJZCEPD-UHFFFAOYSA-N
MW418.46 g/mol
LogP6.04
Rot. Bonds8

About 3-(furan-2-yl)-4-methyl-N-pentyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide

3-(furan-2-yl)-4-methyl-N-pentyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide (PubChem CID 66882605) has the molecular formula C23H25F3N2O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-methyl-N-pentyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-4-methyl-N-pentyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
PubChem CID66882605
Molecular FormulaC23H25F3N2O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name3-(furan-2-yl)-4-methyl-N-pentyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
SMILESCCCCCNC(=O)c1c(-c2ccco2)c(C)cn1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H25F3N2O2/c1-3-4-5-12-27-22(29)21-20(19-7-6-13-30-19)16(2)14-28(21)15-17-8-10-18(11-9-17)23(24,25)26/h6-11,13-14H,3-5,12,15H2,1-2H3,(H,27,29)
InChIKeyNNGPQHJFJZCEPD-UHFFFAOYSA-N
XLogP6.04
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.46
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(furan-2-yl)-4-methyl-N-pentyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide 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-(furan-2-yl)-4-methyl-N-pentyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 3-(furan-2-yl)-4-methyl-N-pentyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide (CID 66882605) is 3-(furan-2-yl)-4-methyl-N-pentyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-4-methyl-N-pentyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-4-methyl-N-pentyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide is CCCCCNC(=O)c1c(-c2ccco2)c(C)cn1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(furan-2-yl)-4-methyl-N-pentyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
The InChIKey is NNGPQHJFJZCEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O2/c1-3-4-5-12-27-22(29)21-20(19-7-6-13-30-19)16(2)14-28(21)15-17-8-10-18(11-9-17)23(24,25)26/h6-11,13-14H,3-5,12,15H2,1-2H3,(H,27,29).
What are the key properties of 3-(furan-2-yl)-4-methyl-N-pentyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
3-(furan-2-yl)-4-methyl-N-pentyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 6.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-methyl-N-pentyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 66882605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).