N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide

C26H25FN2O4 — CID 24880679

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(-c3ccco3)c(C)cn2Cc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C26H25FN2O4/c1-17-15-29(16-18-6-9-20(27)10-7-18)25(24(17)22-5-4-12-33-22)26(30)28-14-19-8-11-21(31-2)13-23(19)32-3/h4-13,15H,14,16H2,1-3H3,(H,28,30)
InChIKeyOLLOOLBGOJQBHR-UHFFFAOYSA-N
MW448.49 g/mol
LogP5.19
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide (PubChem CID 24880679) has the molecular formula C26H25FN2O4 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide
PubChem CID24880679
Molecular FormulaC26H25FN2O4
Molecular Weight448.49 g/mol
Exact Mass448.18
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(-c3ccco3)c(C)cn2Cc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C26H25FN2O4/c1-17-15-29(16-18-6-9-20(27)10-7-18)25(24(17)22-5-4-12-33-22)26(30)28-14-19-8-11-21(31-2)13-23(19)32-3/h4-13,15H,14,16H2,1-3H3,(H,28,30)
InChIKeyOLLOOLBGOJQBHR-UHFFFAOYSA-N
XLogP5.19
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-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 N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide (CID 24880679) is N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide is COc1ccc(CNC(=O)c2c(-c3ccco3)c(C)cn2Cc2ccc(F)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide?
The InChIKey is OLLOOLBGOJQBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O4/c1-17-15-29(16-18-6-9-20(27)10-7-18)25(24(17)22-5-4-12-33-22)26(30)28-14-19-8-11-21(31-2)13-23(19)32-3/h4-13,15H,14,16H2,1-3H3,(H,28,30).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide is sourced from PubChem (CID 24880679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).