1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one

C22H25F2NO5 — CID 69083743

IUPAC1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1cc(CN2C(=O)C(C)CC2c2c(OC)cccc2OC)ccc1OC(F)F
InChIInChI=1S/C22H25F2NO5/c1-13-10-15(20-17(27-2)6-5-7-18(20)28-3)25(21(13)26)12-14-8-9-16(30-22(23)24)19(11-14)29-4/h5-9,11,13,15,22H,10,12H2,1-4H3
InChIKeyHNDLNRVVUUYXHR-UHFFFAOYSA-N
MW421.44 g/mol
LogP4.42
Rot. Bonds8

About 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one

1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one (PubChem CID 69083743) has the molecular formula C22H25F2NO5 and a molecular weight of 421.44 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one
PubChem CID69083743
Molecular FormulaC22H25F2NO5
Molecular Weight421.44 g/mol
Exact Mass421.17
IUPAC Name1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1cc(CN2C(=O)C(C)CC2c2c(OC)cccc2OC)ccc1OC(F)F
InChIInChI=1S/C22H25F2NO5/c1-13-10-15(20-17(27-2)6-5-7-18(20)28-3)25(21(13)26)12-14-8-9-16(30-22(23)24)19(11-14)29-4/h5-9,11,13,15,22H,10,12H2,1-4H3
InChIKeyHNDLNRVVUUYXHR-UHFFFAOYSA-N
XLogP4.42
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one?
The IUPAC name of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one (CID 69083743) is 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one is COc1cc(CN2C(=O)C(C)CC2c2c(OC)cccc2OC)ccc1OC(F)F.
What is the InChIKey of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one?
The InChIKey is HNDLNRVVUUYXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2NO5/c1-13-10-15(20-17(27-2)6-5-7-18(20)28-3)25(21(13)26)12-14-8-9-16(30-22(23)24)19(11-14)29-4/h5-9,11,13,15,22H,10,12H2,1-4H3.
What are the key properties of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one?
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one has a molecular weight of 421.44 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 69083743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).