N-[2-methoxy-5-[3-(trifluoromethyl)phenoxy]phenyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

C20H19F3N2O4 — CID 170650433

IUPACN-[2-methoxy-5-[3-(trifluoromethyl)phenoxy]phenyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(Oc2cccc(C(F)(F)F)c2)cc1NC(=O)C1(C)CCC(=O)N1
InChIInChI=1S/C20H19F3N2O4/c1-19(9-8-17(26)25-19)18(27)24-15-11-14(6-7-16(15)28-2)29-13-5-3-4-12(10-13)20(21,22)23/h3-7,10-11H,8-9H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyWXCQOVDMHOWUFK-UHFFFAOYSA-N
MW408.38 g/mol
LogP4.11
Rot. Bonds5

About N-[2-methoxy-5-[3-(trifluoromethyl)phenoxy]phenyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

N-[2-methoxy-5-[3-(trifluoromethyl)phenoxy]phenyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 170650433) has the molecular formula C20H19F3N2O4 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-[2-methoxy-5-[3-(trifluoromethyl)phenoxy]phenyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[3-(trifluoromethyl)phenoxy]phenyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID170650433
Molecular FormulaC20H19F3N2O4
Molecular Weight408.38 g/mol
Exact Mass408.13
IUPAC NameN-[2-methoxy-5-[3-(trifluoromethyl)phenoxy]phenyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(Oc2cccc(C(F)(F)F)c2)cc1NC(=O)C1(C)CCC(=O)N1
InChIInChI=1S/C20H19F3N2O4/c1-19(9-8-17(26)25-19)18(27)24-15-11-14(6-7-16(15)28-2)29-13-5-3-4-12(10-13)20(21,22)23/h3-7,10-11H,8-9H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyWXCQOVDMHOWUFK-UHFFFAOYSA-N
XLogP4.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide
CID 164633014
N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 531811
(2S)-2-methyl-5-oxo-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide
CID 166279990
N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-sulfanylidenepyrrolidine-2-carboxamide
CID 166073849
N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 166073765
N-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidine-4-carboxamide
CID 33339548
2-benzyl-N-(2,5-dimethoxyphenyl)-7-oxoazepane-2-carboxamide
CID 91919465
N-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 16564447
N-(2,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535021
1-N'-(2,5-dimethoxyphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981643
4-amino-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]-2-oxabicyclo[2.1.1]hexane-1-carboxamide
CID 166286433
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[3-(trifluoromethyl)phenoxy]phenyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-methoxy-5-[3-(trifluoromethyl)phenoxy]phenyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 170650433) is N-[2-methoxy-5-[3-(trifluoromethyl)phenoxy]phenyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-[3-(trifluoromethyl)phenoxy]phenyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-methoxy-5-[3-(trifluoromethyl)phenoxy]phenyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is COc1ccc(Oc2cccc(C(F)(F)F)c2)cc1NC(=O)C1(C)CCC(=O)N1.
What is the InChIKey of N-[2-methoxy-5-[3-(trifluoromethyl)phenoxy]phenyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WXCQOVDMHOWUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O4/c1-19(9-8-17(26)25-19)18(27)24-15-11-14(6-7-16(15)28-2)29-13-5-3-4-12(10-13)20(21,22)23/h3-7,10-11H,8-9H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-methoxy-5-[3-(trifluoromethyl)phenoxy]phenyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-[2-methoxy-5-[3-(trifluoromethyl)phenoxy]phenyl]-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[3-(trifluoromethyl)phenoxy]phenyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 170650433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).