N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide

C23H22F2N2O4 — CID 56560432

About N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide

N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide (PubChem CID 56560432) has the molecular formula C23H22F2N2O4 and a molecular weight of 428.44 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
• PubChem CID: 56560432
• Molecular Formula: C23H22F2N2O4
• Molecular Weight: 428.44 g/mol
• Exact Mass: 428.15
• IUPAC Name: N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
• SMILES: COc1ccc(NC(=O)c2ccoc2CN2c3ccccc3CC2C)cc1OC(F)F
• InChI: InChI=1S/C23H22F2N2O4/c1-14-11-15-5-3-4-6-18(15)27(14)13-21-17(9-10-30-21)22(28)26-16-7-8-19(29-2)20(12-16)31-23(24)25/h3-10,12,14,23H,11,13H2,1-2H3,(H,26,28)
• InChIKey: AZFMLEQRUMYKEI-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 63.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.44
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide (CID 56560432) is N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide.

What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide is COc1ccc(NC(=O)c2ccoc2CN2c3ccccc3CC2C)cc1OC(F)F.

What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

The InChIKey is AZFMLEQRUMYKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O4/c1-14-11-15-5-3-4-6-18(15)27(14)13-21-17(9-10-30-21)22(28)26-16-7-8-19(29-2)20(12-16)31-23(24)25/h3-10,12,14,23H,11,13H2,1-2H3,(H,26,28).

What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 56560432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).