4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide

C31H32F4N4O7 — CID 169319112

About 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide

4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide (PubChem CID 169319112) has the molecular formula C31H32F4N4O7 and a molecular weight of 648.61 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide
• PubChem CID: 169319112
• Molecular Formula: C31H32F4N4O7
• Molecular Weight: 648.61 g/mol
• Exact Mass: 648.22
• IUPAC Name: 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide
• SMILES: COCC(C(=O)N(C)C)n1ccc(C)c(N2C[C@@H](c3c(F)cc(OC)cc3F)[C@H](NC(=O)c3ccc(OC(F)F)cc3)C2=O)c1=O
• InChI: InChI=1S/C31H32F4N4O7/c1-16-10-11-38(23(15-44-4)28(41)37(2)3)30(43)26(16)39-14-20(24-21(32)12-19(45-5)13-22(24)33)25(29(39)42)36-27(40)17-6-8-18(9-7-17)46-31(34)35/h6-13,20,23,25,31H,14-15H2,1-5H3,(H,36,40)/t20-,23?,25-/m0/s1
• InChIKey: HBTBSKDRDQLINN-XTBBCBASSA-N
• XLogP: 3.25
• TPSA: 119.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	648.61
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide?

The IUPAC name of 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide (CID 169319112) is 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide.

What is the SMILES notation for 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide?

The canonical SMILES for 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide is COCC(C(=O)N(C)C)n1ccc(C)c(N2C[C@@H](c3c(F)cc(OC)cc3F)[C@H](NC(=O)c3ccc(OC(F)F)cc3)C2=O)c1=O.

What is the InChIKey of 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide?

The InChIKey is HBTBSKDRDQLINN-XTBBCBASSA-N. The full InChI is InChI=1S/C31H32F4N4O7/c1-16-10-11-38(23(15-44-4)28(41)37(2)3)30(43)26(16)39-14-20(24-21(32)12-19(45-5)13-22(24)33)25(29(39)42)36-27(40)17-6-8-18(9-7-17)46-31(34)35/h6-13,20,23,25,31H,14-15H2,1-5H3,(H,36,40)/t20-,23?,25-/m0/s1.

What are the key properties of 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide?

4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide has a molecular weight of 648.61 g/mol, XLogP of 3.25, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 169319112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).