1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide

C21H22F3N3O4 — CID 56555228

IUPAC1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)N2CCCC2C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C21H22F3N3O4/c1-30-17-6-2-3-7-18(17)31-15-10-8-14(9-11-15)26-20(29)27-12-4-5-16(27)19(28)25-13-21(22,23)24/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,25,28)(H,26,29)
InChIKeyJBGILZWTKCKKNG-UHFFFAOYSA-N
MW437.42 g/mol
LogP4.16
Rot. Bonds6

About 1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide

1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 56555228) has the molecular formula C21H22F3N3O4 and a molecular weight of 437.42 g/mol. Its IUPAC name is 1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID56555228
Molecular FormulaC21H22F3N3O4
Molecular Weight437.42 g/mol
Exact Mass437.16
IUPAC Name1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)N2CCCC2C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C21H22F3N3O4/c1-30-17-6-2-3-7-18(17)31-15-10-8-14(9-11-15)26-20(29)27-12-4-5-16(27)19(28)25-13-21(22,23)24/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,25,28)(H,26,29)
InChIKeyJBGILZWTKCKKNG-UHFFFAOYSA-N
XLogP4.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814318
1-[3-(2-methoxyphenyl)prop-2-enoyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55670614
(2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97334553
(2R)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97334552
1-N-(4-methoxyphenyl)-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 3219657
(2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468915
1-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 42923415
(2R)-2-N-(4-acetamidophenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468944
1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide
CID 4998458
1-(4-phenoxybutanoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55600518
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide (CID 56555228) is 1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide is COc1ccccc1Oc1ccc(NC(=O)N2CCCC2C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is JBGILZWTKCKKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O4/c1-30-17-6-2-3-7-18(17)31-15-10-8-14(9-11-15)26-20(29)27-12-4-5-16(27)19(28)25-13-21(22,23)24/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 437.42 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(2-methoxyphenoxy)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 56555228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).