N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-2-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide

C24H17F6N3O4 — CID 166933824

IUPACN-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-2-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
SMILESCOc1cc(F)c([C@@H]2CN(c3ncccc3F)C(=O)C2NC(=O)c2ccc(OC(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C24H17F6N3O4/c1-36-14-9-17(26)19(18(27)10-14)15-11-33(21-16(25)3-2-8-31-21)23(35)20(15)32-22(34)12-4-6-13(7-5-12)37-24(28,29)30/h2-10,15,20H,11H2,1H3,(H,32,34)/t15-,20?/m0/s1
InChIKeyNHVLCUFZABODJQ-OOJLDXBWSA-N
MW525.41 g/mol
LogP4.34
Rot. Bonds6

About N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-2-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide

N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-2-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 166933824) has the molecular formula C24H17F6N3O4 and a molecular weight of 525.41 g/mol. Its IUPAC name is N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-2-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-2-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
PubChem CID166933824
Molecular FormulaC24H17F6N3O4
Molecular Weight525.41 g/mol
Exact Mass525.11
IUPAC NameN-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-2-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
SMILESCOc1cc(F)c([C@@H]2CN(c3ncccc3F)C(=O)C2NC(=O)c2ccc(OC(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C24H17F6N3O4/c1-36-14-9-17(26)19(18(27)10-14)15-11-33(21-16(25)3-2-8-31-21)23(35)20(15)32-22(34)12-4-6-13(7-5-12)37-24(28,29)30/h2-10,15,20H,11H2,1H3,(H,32,34)/t15-,20?/m0/s1
InChIKeyNHVLCUFZABODJQ-OOJLDXBWSA-N
XLogP4.34
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[3-fluoro-6-(2-methyl-5-oxomorpholin-4-yl)-2-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319248
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[5-fluoro-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319061
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
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319281
N-[(4R)-1-[1-(1,1-difluoro-2-hydroxyethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 166933783
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319405
N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 166933864
N-[(3S,4R)-1-(1-cyclobutyl-4-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319199
4-chloro-N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[4-(2-methoxyethylamino)-3-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide
CID 162437751
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
N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxopyrrolidin-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 162437256
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methyl-2-oxo-1-(3,3,3-trifluoro-2-methoxypropyl)-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319252

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-2-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-2-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide (CID 166933824) is N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-2-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-2-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-2-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide is COc1cc(F)c([C@@H]2CN(c3ncccc3F)C(=O)C2NC(=O)c2ccc(OC(F)(F)F)cc2)c(F)c1.
What is the InChIKey of N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-2-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is NHVLCUFZABODJQ-OOJLDXBWSA-N. The full InChI is InChI=1S/C24H17F6N3O4/c1-36-14-9-17(26)19(18(27)10-14)15-11-33(21-16(25)3-2-8-31-21)23(35)20(15)32-22(34)12-4-6-13(7-5-12)37-24(28,29)30/h2-10,15,20H,11H2,1H3,(H,32,34)/t15-,20?/m0/s1.
What are the key properties of N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-2-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide?
N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-2-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 525.41 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-2-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 166933824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).