3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide

C27H26F5N3O5 — CID 162437923

IUPAC3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide
SMILESCOCCn1cccc(N2CC(c3c(F)cc(OC)cc3F)CC2=O)c1=O.NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F2N2O4.C8H6F3NO/c1-26-7-6-22-5-3-4-16(19(22)25)23-11-12(8-17(23)24)18-14(20)9-13(27-2)10-15(18)21;9-8(10,11)6-3-1-5(2-4-6)7(12)13/h3-5,9-10,12H,6-8,11H2,1-2H3;1-4H,(H2,12,13)
InChIKeyMCNRWHMHYFNUBN-UHFFFAOYSA-N
MW567.51 g/mol
LogP4.11
Rot. Bonds7

About 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide

3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide (PubChem CID 162437923) has the molecular formula C27H26F5N3O5 and a molecular weight of 567.51 g/mol. Its IUPAC name is 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide
PubChem CID162437923
Molecular FormulaC27H26F5N3O5
Molecular Weight567.51 g/mol
Exact Mass567.18
IUPAC Name3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide
SMILESCOCCn1cccc(N2CC(c3c(F)cc(OC)cc3F)CC2=O)c1=O.NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F2N2O4.C8H6F3NO/c1-26-7-6-22-5-3-4-16(19(22)25)23-11-12(8-17(23)24)18-14(20)9-13(27-2)10-15(18)21;9-8(10,11)6-3-1-5(2-4-6)7(12)13/h3-5,9-10,12H,6-8,11H2,1-2H3;1-4H,(H2,12,13)
InChIKeyMCNRWHMHYFNUBN-UHFFFAOYSA-N
XLogP4.11
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one
CID 170366587
1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one
CID 162437799
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2,3-dihydroxypropyl)pyridin-2-one;fluoromethanol;4-fluoro-N-methylbenzamide
CID 162437890
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxo-3-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 169319085
3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
CID 170367470
4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxo-1-[2-oxo-1-(3,3,3-trifluoropropyl)-3-pyridinyl]pyrrolidin-3-yl]benzamide
CID 169318955
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-[3-methoxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]pyridin-2-one
CID 162437418
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-morpholin-4-ylethyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169318954
4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxo-3-pyridinyl)-2-oxopyrrolidin-3-yl]benzamide
CID 169318964
3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one
CID 170264622
N-[(4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 162437871
4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethanimidoyl-2-imino-3-pyridinyl)pyrrolidin-2-one
CID 162437881

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide?
The IUPAC name of 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide (CID 162437923) is 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide is COCCn1cccc(N2CC(c3c(F)cc(OC)cc3F)CC2=O)c1=O.NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide?
The InChIKey is MCNRWHMHYFNUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4.C8H6F3NO/c1-26-7-6-22-5-3-4-16(19(22)25)23-11-12(8-17(23)24)18-14(20)9-13(27-2)10-15(18)21;9-8(10,11)6-3-1-5(2-4-6)7(12)13/h3-5,9-10,12H,6-8,11H2,1-2H3;1-4H,(H2,12,13).
What are the key properties of 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide?
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide has a molecular weight of 567.51 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide is sourced from PubChem (CID 162437923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).