4-(difluoromethoxy)benzamide;4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methoxy-6-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrrolidin-2-one

C32H36F4N4O5 — CID 162437814

About 4-(difluoromethoxy)benzamide;4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methoxy-6-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrrolidin-2-one

4-(difluoromethoxy)benzamide;4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methoxy-6-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrrolidin-2-one (PubChem CID 162437814) has the molecular formula C32H36F4N4O5 and a molecular weight of 632.66 g/mol. Its IUPAC name is 4-(difluoromethoxy)benzamide;4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methoxy-6-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-(difluoromethoxy)benzamide;4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methoxy-6-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrrolidin-2-one
• PubChem CID: 162437814
• Molecular Formula: C32H36F4N4O5
• Molecular Weight: 632.66 g/mol
• Exact Mass: 632.26
• IUPAC Name: 4-(difluoromethoxy)benzamide;4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methoxy-6-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrrolidin-2-one
• SMILES: COc1cc(C2CCN(C)CC2)nc(N2C(=O)CC(c3c(F)cc(OC)cc3F)C2C)c1.NC(=O)c1ccc(OC(F)F)cc1
• InChI: InChI=1S/C24H29F2N3O3.C8H7F2NO2/c1-14-18(24-19(25)9-16(31-3)10-20(24)26)13-23(30)29(14)22-12-17(32-4)11-21(27-22)15-5-7-28(2)8-6-15;9-8(10)13-6-3-1-5(2-4-6)7(11)12/h9-12,14-15,18H,5-8,13H2,1-4H3;1-4,8H,(H2,11,12)
• InChIKey: BGYJRYBLAUYEEL-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 107.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.66
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)benzamide;4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methoxy-6-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrrolidin-2-one?

The IUPAC name of 4-(difluoromethoxy)benzamide;4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methoxy-6-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrrolidin-2-one (CID 162437814) is 4-(difluoromethoxy)benzamide;4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methoxy-6-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrrolidin-2-one.

What is the SMILES notation for 4-(difluoromethoxy)benzamide;4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methoxy-6-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrrolidin-2-one?

The canonical SMILES for 4-(difluoromethoxy)benzamide;4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methoxy-6-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrrolidin-2-one is COc1cc(C2CCN(C)CC2)nc(N2C(=O)CC(c3c(F)cc(OC)cc3F)C2C)c1.NC(=O)c1ccc(OC(F)F)cc1.

What is the InChIKey of 4-(difluoromethoxy)benzamide;4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methoxy-6-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrrolidin-2-one?

The InChIKey is BGYJRYBLAUYEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O3.C8H7F2NO2/c1-14-18(24-19(25)9-16(31-3)10-20(24)26)13-23(30)29(14)22-12-17(32-4)11-21(27-22)15-5-7-28(2)8-6-15;9-8(10)13-6-3-1-5(2-4-6)7(11)12/h9-12,14-15,18H,5-8,13H2,1-4H3;1-4,8H,(H2,11,12).

What are the key properties of 4-(difluoromethoxy)benzamide;4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methoxy-6-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrrolidin-2-one?

4-(difluoromethoxy)benzamide;4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methoxy-6-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrrolidin-2-one has a molecular weight of 632.66 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(difluoromethoxy)benzamide;4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methoxy-6-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 162437814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).