N-[5-[(3-fluorophenoxy)methyl]-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C21H19FN2O4 — CID 166073778

IUPACN-[5-[(3-fluorophenoxy)methyl]-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CCC1C(=O)Nc1cc(COc2cccc(F)c2)cc2ccoc12
InChIInChI=1S/C21H19FN2O4/c1-24-18(5-6-19(24)25)21(26)23-17-10-13(9-14-7-8-27-20(14)17)12-28-16-4-2-3-15(22)11-16/h2-4,7-11,18H,5-6,12H2,1H3,(H,23,26)
InChIKeyVUMLEUSLMCUTHS-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.71
Rot. Bonds5

About N-[5-[(3-fluorophenoxy)methyl]-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide

N-[5-[(3-fluorophenoxy)methyl]-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 166073778) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[5-[(3-fluorophenoxy)methyl]-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenoxy)methyl]-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID166073778
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC NameN-[5-[(3-fluorophenoxy)methyl]-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CCC1C(=O)Nc1cc(COc2cccc(F)c2)cc2ccoc12
InChIInChI=1S/C21H19FN2O4/c1-24-18(5-6-19(24)25)21(26)23-17-10-13(9-14-7-8-27-20(14)17)12-28-16-4-2-3-15(22)11-16/h2-4,7-11,18H,5-6,12H2,1H3,(H,23,26)
InChIKeyVUMLEUSLMCUTHS-UHFFFAOYSA-N
XLogP3.71
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074170
N-[5-[(3-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran-7-yl]-5-oxopyrrolidine-2-carboxamide
CID 166073968
1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide
CID 146138327
N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687358
N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073875
N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687327
N-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687377
(2R)-N-[7-(3,4-difluorophenoxy)-2,3-dihydro-1,4-benzodioxin-5-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074124
N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073681
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
N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 38613381

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenoxy)methyl]-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[5-[(3-fluorophenoxy)methyl]-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 166073778) is N-[5-[(3-fluorophenoxy)methyl]-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorophenoxy)methyl]-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-[(3-fluorophenoxy)methyl]-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide is CN1C(=O)CCC1C(=O)Nc1cc(COc2cccc(F)c2)cc2ccoc12.
What is the InChIKey of N-[5-[(3-fluorophenoxy)methyl]-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is VUMLEUSLMCUTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-24-18(5-6-19(24)25)21(26)23-17-10-13(9-14-7-8-27-20(14)17)12-28-16-4-2-3-15(22)11-16/h2-4,7-11,18H,5-6,12H2,1H3,(H,23,26).
What are the key properties of N-[5-[(3-fluorophenoxy)methyl]-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
N-[5-[(3-fluorophenoxy)methyl]-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenoxy)methyl]-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 166073778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).