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

C25H24F5N3O5 — CID 162437256

IUPACN-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxopyrrolidin-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
SMILESCCN1CCC(N2C[C@@H](c3c(F)cc(OC)cc3F)C(NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)C1=O
InChIInChI=1S/C25H24F5N3O5/c1-3-32-9-8-19(23(32)35)33-12-16(20-17(26)10-15(37-2)11-18(20)27)21(24(33)36)31-22(34)13-4-6-14(7-5-13)38-25(28,29)30/h4-7,10-11,16,19,21H,3,8-9,12H2,1-2H3,(H,31,34)/t16-,19?,21?/m0/s1
InChIKeyZUNHHIFMXXSZNB-YQHFOJDRSA-N
MW541.47 g/mol
LogP3.22
Rot. Bonds7

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

N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxopyrrolidin-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 162437256) has the molecular formula C25H24F5N3O5 and a molecular weight of 541.47 g/mol. Its IUPAC name is N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxopyrrolidin-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxopyrrolidin-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
PubChem CID162437256
Molecular FormulaC25H24F5N3O5
Molecular Weight541.47 g/mol
Exact Mass541.16
IUPAC NameN-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxopyrrolidin-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
SMILESCCN1CCC(N2C[C@@H](c3c(F)cc(OC)cc3F)C(NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)C1=O
InChIInChI=1S/C25H24F5N3O5/c1-3-32-9-8-19(23(32)35)33-12-16(20-17(26)10-15(37-2)11-18(20)27)21(24(33)36)31-22(34)13-4-6-14(7-5-13)38-25(28,29)30/h4-7,10-11,16,19,21H,3,8-9,12H2,1-2H3,(H,31,34)/t16-,19?,21?/m0/s1
InChIKeyZUNHHIFMXXSZNB-YQHFOJDRSA-N
XLogP3.22
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-2-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 166933824
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-[(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)-1-(1-cyclobutyl-4-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319199
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-[(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-[(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)-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)-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
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
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

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxopyrrolidin-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxopyrrolidin-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide (CID 162437256) is N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxopyrrolidin-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxopyrrolidin-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxopyrrolidin-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide is CCN1CCC(N2C[C@@H](c3c(F)cc(OC)cc3F)C(NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)C1=O.
What is the InChIKey of N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxopyrrolidin-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is ZUNHHIFMXXSZNB-YQHFOJDRSA-N. The full InChI is InChI=1S/C25H24F5N3O5/c1-3-32-9-8-19(23(32)35)33-12-16(20-17(26)10-15(37-2)11-18(20)27)21(24(33)36)31-22(34)13-4-6-14(7-5-13)38-25(28,29)30/h4-7,10-11,16,19,21H,3,8-9,12H2,1-2H3,(H,31,34)/t16-,19?,21?/m0/s1.
What are the key properties of N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxopyrrolidin-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide?
N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxopyrrolidin-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 541.47 g/mol, XLogP of 3.22, 7 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-(1-ethyl-2-oxopyrrolidin-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 162437256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).