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

C33H34F4N4O8 — CID 169319160

IUPAC4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide
SMILESCOCC(C(=O)N1CCOCC1)n1ccc(C)c(N2C[C@@H](c3c(F)cc(OC)cc3F)[C@H](NC(=O)c3ccc(OC(F)F)cc3)C2=O)c1=O
InChIInChI=1S/C33H34F4N4O8/c1-18-8-9-40(25(17-46-2)30(43)39-10-12-48-13-11-39)32(45)28(18)41-16-22(26-23(34)14-21(47-3)15-24(26)35)27(31(41)44)38-29(42)19-4-6-20(7-5-19)49-33(36)37/h4-9,14-15,22,25,27,33H,10-13,16-17H2,1-3H3,(H,38,42)/t22-,25?,27-/m0/s1
InChIKeyGTPMGZYHDYXFGU-UMQIIANQSA-N
MW690.65 g/mol
LogP3.02
Rot. Bonds11

About 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(3-methoxy-1-morpholin-4-yl-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-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide (PubChem CID 169319160) has the molecular formula C33H34F4N4O8 and a molecular weight of 690.65 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide
PubChem CID169319160
Molecular FormulaC33H34F4N4O8
Molecular Weight690.65 g/mol
Exact Mass690.23
IUPAC Name4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide
SMILESCOCC(C(=O)N1CCOCC1)n1ccc(C)c(N2C[C@@H](c3c(F)cc(OC)cc3F)[C@H](NC(=O)c3ccc(OC(F)F)cc3)C2=O)c1=O
InChIInChI=1S/C33H34F4N4O8/c1-18-8-9-40(25(17-46-2)30(43)39-10-12-48-13-11-39)32(45)28(18)41-16-22(26-23(34)14-21(47-3)15-24(26)35)27(31(41)44)38-29(42)19-4-6-20(7-5-19)49-33(36)37/h4-9,14-15,22,25,27,33H,10-13,16-17H2,1-3H3,(H,38,42)/t22-,25?,27-/m0/s1
InChIKeyGTPMGZYHDYXFGU-UMQIIANQSA-N
XLogP3.02
TPSA128.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500690.65
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(3-methoxy-1-morpholin-4-yl-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-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide (CID 169319160) is 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(3-methoxy-1-morpholin-4-yl-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-(3-methoxy-1-morpholin-4-yl-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-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide is COCC(C(=O)N1CCOCC1)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-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide?
The InChIKey is GTPMGZYHDYXFGU-UMQIIANQSA-N. The full InChI is InChI=1S/C33H34F4N4O8/c1-18-8-9-40(25(17-46-2)30(43)39-10-12-48-13-11-39)32(45)28(18)41-16-22(26-23(34)14-21(47-3)15-24(26)35)27(31(41)44)38-29(42)19-4-6-20(7-5-19)49-33(36)37/h4-9,14-15,22,25,27,33H,10-13,16-17H2,1-3H3,(H,38,42)/t22-,25?,27-/m0/s1.
What are the key properties of 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(3-methoxy-1-morpholin-4-yl-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-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide has a molecular weight of 690.65 g/mol, XLogP of 3.02, 11 rotatable bonds, 1 hydrogen bond donors, and 9 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-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 169319160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).