4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide

C24H22F2N2O2 — CID 42790915

About 4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide

4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 42790915) has the molecular formula C24H22F2N2O2 and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

• Compound Name: 4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide
• PubChem CID: 42790915
• Molecular Formula: C24H22F2N2O2
• Molecular Weight: 408.45 g/mol
• Exact Mass: 408.16
• IUPAC Name: 4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide
• SMILES: CC(CCc1ccccc1)NC(=O)c1cc2occc2n1Cc1ccc(F)c(F)c1
• InChI: InChI=1S/C24H22F2N2O2/c1-16(7-8-17-5-3-2-4-6-17)27-24(29)22-14-23-21(11-12-30-23)28(22)15-18-9-10-19(25)20(26)13-18/h2-6,9-14,16H,7-8,15H2,1H3,(H,27,29)
• InChIKey: UHOBNKDPLNCZSG-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 47.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.45
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide?

The IUPAC name of 4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide (CID 42790915) is 4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide.

What is the SMILES notation for 4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide?

The canonical SMILES for 4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide is CC(CCc1ccccc1)NC(=O)c1cc2occc2n1Cc1ccc(F)c(F)c1.

What is the InChIKey of 4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide?

The InChIKey is UHOBNKDPLNCZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O2/c1-16(7-8-17-5-3-2-4-6-17)27-24(29)22-14-23-21(11-12-30-23)28(22)15-18-9-10-19(25)20(26)13-18/h2-6,9-14,16H,7-8,15H2,1H3,(H,27,29).

What are the key properties of 4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide?

4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42790915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).