N-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide

C20H20F2N2O4 — CID 113185480

IUPACN-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OCCN2CC(C(=O)Nc3ccc(F)c(F)c3)CC2=O)cc1
InChIInChI=1S/C20H20F2N2O4/c1-27-15-3-5-16(6-4-15)28-9-8-24-12-13(10-19(24)25)20(26)23-14-2-7-17(21)18(22)11-14/h2-7,11,13H,8-10,12H2,1H3,(H,23,26)
InChIKeyWFPQSCBMAITSKQ-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.84
Rot. Bonds7

About N-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide

N-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113185480) has the molecular formula C20H20F2N2O4 and a molecular weight of 390.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113185480
Molecular FormulaC20H20F2N2O4
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC NameN-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OCCN2CC(C(=O)Nc3ccc(F)c(F)c3)CC2=O)cc1
InChIInChI=1S/C20H20F2N2O4/c1-27-15-3-5-16(6-4-15)28-9-8-24-12-13(10-19(24)25)20(26)23-14-2-7-17(21)18(22)11-14/h2-7,11,13H,8-10,12H2,1H3,(H,23,26)
InChIKeyWFPQSCBMAITSKQ-UHFFFAOYSA-N
XLogP2.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185477
N-(3,4-difluorophenyl)-1-[2-(3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184601
methyl 1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693454
N-[(2-fluorophenyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185414
(3S)-1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 97496755
N-(2-ethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185450
N-(3,4-difluorophenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183892
1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113185431
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42997316
N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185402
1-[2-(cyclohexen-1-yl)ethyl]-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182449

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 113185480) is N-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(OCCN2CC(C(=O)Nc3ccc(F)c(F)c3)CC2=O)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WFPQSCBMAITSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O4/c1-27-15-3-5-16(6-4-15)28-9-8-24-12-13(10-19(24)25)20(26)23-14-2-7-17(21)18(22)11-14/h2-7,11,13H,8-10,12H2,1H3,(H,23,26).
What are the key properties of N-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113185480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).