N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide

C24H22F3N3O6 — CID 166073765

IUPACN-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1NC(=O)C1CCC(=O)N1C(=O)C1CCC(=O)N1
InChIInChI=1S/C24H22F3N3O6/c1-35-19-9-6-15(36-14-4-2-13(3-5-14)24(25,26)27)12-17(19)29-22(33)18-8-11-21(32)30(18)23(34)16-7-10-20(31)28-16/h2-6,9,12,16,18H,7-8,10-11H2,1H3,(H,28,31)(H,29,33)
InChIKeyUEFOIEIWSFOSIK-UHFFFAOYSA-N
MW505.45 g/mol
LogP3.24
Rot. Bonds6

About N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide

N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 166073765) has the molecular formula C24H22F3N3O6 and a molecular weight of 505.45 g/mol. Its IUPAC name is N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID166073765
Molecular FormulaC24H22F3N3O6
Molecular Weight505.45 g/mol
Exact Mass505.15
IUPAC NameN-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1NC(=O)C1CCC(=O)N1C(=O)C1CCC(=O)N1
InChIInChI=1S/C24H22F3N3O6/c1-35-19-9-6-15(36-14-4-2-13(3-5-14)24(25,26)27)12-17(19)29-22(33)18-8-11-21(32)30(18)23(34)16-7-10-20(31)28-16/h2-6,9,12,16,18H,7-8,10-11H2,1H3,(H,28,31)(H,29,33)
InChIKeyUEFOIEIWSFOSIK-UHFFFAOYSA-N
XLogP3.24
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-sulfanylidenepyrrolidine-2-carboxamide
CID 166073849
N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide
CID 166073714
(4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide
CID 166073463
N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide
CID 166074183
N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074157
(2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073744
(2S)-N-[2-methoxy-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073828
N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073875
benzyl (2S,4R)-4-hydroxy-2-[[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 166073537
(2S)-N-[5-[(5-chloro-2-pyridinyl)oxy]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074134
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 112765279
(2S)-N-[5-(3-chloro-4-cyanophenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073787

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide (CID 166073765) is N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide is COc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1NC(=O)C1CCC(=O)N1C(=O)C1CCC(=O)N1.
What is the InChIKey of N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is UEFOIEIWSFOSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O6/c1-35-19-9-6-15(36-14-4-2-13(3-5-14)24(25,26)27)12-17(19)29-22(33)18-8-11-21(32)30(18)23(34)16-7-10-20(31)28-16/h2-6,9,12,16,18H,7-8,10-11H2,1H3,(H,28,31)(H,29,33).
What are the key properties of N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide?
N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 505.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 166073765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).