[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate

C20H19F2NO5 — CID 9133924

IUPAC[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESCOc1cc(COC(=O)c2ccccc2N2CCCC2=O)ccc1OC(F)F
InChIInChI=1S/C20H19F2NO5/c1-26-17-11-13(8-9-16(17)28-20(21)22)12-27-19(25)14-5-2-3-6-15(14)23-10-4-7-18(23)24/h2-3,5-6,8-9,11,20H,4,7,10,12H2,1H3
InChIKeyDQSFKVFEMBWTAH-UHFFFAOYSA-N
MW391.37 g/mol
LogP3.78
Rot. Bonds7

About [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate

[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 9133924) has the molecular formula C20H19F2NO5 and a molecular weight of 391.37 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID9133924
Molecular FormulaC20H19F2NO5
Molecular Weight391.37 g/mol
Exact Mass391.12
IUPAC Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESCOc1cc(COC(=O)c2ccccc2N2CCCC2=O)ccc1OC(F)F
InChIInChI=1S/C20H19F2NO5/c1-26-17-11-13(8-9-16(17)28-20(21)22)12-27-19(25)14-5-2-3-6-15(14)23-10-4-7-18(23)24/h2-3,5-6,8-9,11,20H,4,7,10,12H2,1H3
InChIKeyDQSFKVFEMBWTAH-UHFFFAOYSA-N
XLogP3.78
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate 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

(2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9134704
(3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133484
(2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9130969
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate
CID 24602070
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 86826541
4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42115193
N-(3,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17428588
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46818570
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133564
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 46818176
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55702146
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 30137420

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate (CID 9133924) is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate is COc1cc(COC(=O)c2ccccc2N2CCCC2=O)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is DQSFKVFEMBWTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO5/c1-26-17-11-13(8-9-16(17)28-20(21)22)12-27-19(25)14-5-2-3-6-15(14)23-10-4-7-18(23)24/h2-3,5-6,8-9,11,20H,4,7,10,12H2,1H3.
What are the key properties of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 391.37 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 9133924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).