1-(2,5-difluorophenyl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C20H19F2NO4 — CID 55909391

IUPAC1-(2,5-difluorophenyl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOc1cccc(N2CC(C(=O)OC(C)c3cc(F)ccc3F)CC2=O)c1
InChIInChI=1S/C20H19F2NO4/c1-12(17-9-14(21)6-7-18(17)22)27-20(25)13-8-19(24)23(11-13)15-4-3-5-16(10-15)26-2/h3-7,9-10,12-13H,8,11H2,1-2H3
InChIKeyMMHHGEDDTASPIS-UHFFFAOYSA-N
MW375.37 g/mol
LogP3.63
Rot. Bonds5

About 1-(2,5-difluorophenyl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

1-(2,5-difluorophenyl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 55909391) has the molecular formula C20H19F2NO4 and a molecular weight of 375.37 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID55909391
Molecular FormulaC20H19F2NO4
Molecular Weight375.37 g/mol
Exact Mass375.13
IUPAC Name1-(2,5-difluorophenyl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOc1cccc(N2CC(C(=O)OC(C)c3cc(F)ccc3F)CC2=O)c1
InChIInChI=1S/C20H19F2NO4/c1-12(17-9-14(21)6-7-18(17)22)27-20(25)13-8-19(24)23(11-13)15-4-3-5-16(10-15)26-2/h3-7,9-10,12-13H,8,11H2,1-2H3
InChIKeyMMHHGEDDTASPIS-UHFFFAOYSA-N
XLogP3.63
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(5-fluoro-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39977521
N'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55559454
(2-chlorophenyl) (3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056891
(4-bromophenyl) (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056880
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 55557843
(2-acetylphenyl) (3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056895
[(1S)-1-cyclopropylethyl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 95173629
ethyl (3S)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075742
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 55558286
(3,4-dimethylphenyl) (3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056903
(4-formylphenyl) (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056884
(4-methoxyphenyl) 1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 43044149

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of 1-(2,5-difluorophenyl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 55909391) is 1-(2,5-difluorophenyl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for 1-(2,5-difluorophenyl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for 1-(2,5-difluorophenyl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is COc1cccc(N2CC(C(=O)OC(C)c3cc(F)ccc3F)CC2=O)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is MMHHGEDDTASPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO4/c1-12(17-9-14(21)6-7-18(17)22)27-20(25)13-8-19(24)23(11-13)15-4-3-5-16(10-15)26-2/h3-7,9-10,12-13H,8,11H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
1-(2,5-difluorophenyl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 375.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 55909391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).