N-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C20H20F2N2O4 — CID 166074170

IUPACN-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1c(F)cc(COc2cccc(F)c2)cc1NC(=O)C1CCC(=O)N1C
InChIInChI=1S/C20H20F2N2O4/c1-24-17(6-7-18(24)25)20(26)23-16-9-12(8-15(22)19(16)27-2)11-28-14-5-3-4-13(21)10-14/h3-5,8-10,17H,6-7,11H2,1-2H3,(H,23,26)
InChIKeyQGDKZZKRJVHTRI-UHFFFAOYSA-N
MW390.39 g/mol
LogP3.11
Rot. Bonds6

About N-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

N-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 166074170) has the molecular formula C20H20F2N2O4 and a molecular weight of 390.39 g/mol. Its IUPAC name is N-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID166074170
Molecular FormulaC20H20F2N2O4
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC NameN-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1c(F)cc(COc2cccc(F)c2)cc1NC(=O)C1CCC(=O)N1C
InChIInChI=1S/C20H20F2N2O4/c1-24-17(6-7-18(24)25)20(26)23-16-9-12(8-15(22)19(16)27-2)11-28-14-5-3-4-13(21)10-14/h3-5,8-10,17H,6-7,11H2,1-2H3,(H,23,26)
InChIKeyQGDKZZKRJVHTRI-UHFFFAOYSA-N
XLogP3.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[(3-fluorophenoxy)methyl]-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073778
N-[5-[(3-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran-7-yl]-5-oxopyrrolidine-2-carboxamide
CID 166073968
N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073875
N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687358
3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline
CID 166073795
1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide
CID 146138327
1-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxy-3-nitrobenzene
CID 166073962
N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073681
(2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073744
N-[3-[2-(3,5-difluoro-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 87031657
(2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 136586418
N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687327

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 166074170) is N-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is COc1c(F)cc(COc2cccc(F)c2)cc1NC(=O)C1CCC(=O)N1C.
What is the InChIKey of N-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QGDKZZKRJVHTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O4/c1-24-17(6-7-18(24)25)20(26)23-16-9-12(8-15(22)19(16)27-2)11-28-14-5-3-4-13(21)10-14/h3-5,8-10,17H,6-7,11H2,1-2H3,(H,23,26).
What are the key properties of N-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
N-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 166074170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).