2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxooxolane-3-carboxamide

C20H20FNO5 — CID 4229374

IUPAC2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxooxolane-3-carboxamide
SMILESCOc1ccc(C2OC(=O)CC2C(=O)NCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C20H20FNO5/c1-25-16-8-5-13(9-17(16)26-2)19-15(10-18(23)27-19)20(24)22-11-12-3-6-14(21)7-4-12/h3-9,15,19H,10-11H2,1-2H3,(H,22,24)
InChIKeyVLVQWIBNQGYKMG-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.76
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxooxolane-3-carboxamide

2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxooxolane-3-carboxamide (PubChem CID 4229374) has the molecular formula C20H20FNO5 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxooxolane-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxooxolane-3-carboxamide
PubChem CID4229374
Molecular FormulaC20H20FNO5
Molecular Weight373.38 g/mol
Exact Mass373.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxooxolane-3-carboxamide
SMILESCOc1ccc(C2OC(=O)CC2C(=O)NCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C20H20FNO5/c1-25-16-8-5-13(9-17(16)26-2)19-15(10-18(23)27-19)20(24)22-11-12-3-6-14(21)7-4-12/h3-9,15,19H,10-11H2,1-2H3,(H,22,24)
InChIKeyVLVQWIBNQGYKMG-UHFFFAOYSA-N
XLogP2.76
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxooxolane-3-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-isopropyl-2-(4-methoxyphenyl)-5-oxotetrahydrofuran-3-carboxamide
CID 3244745
N-(2-chlorobenzyl)-2-(3,4-dimethoxyphenyl)-5-oxotetrahydrofuran-3-carboxamide
CID 4229367
N-(4-chlorobenzyl)-2-(3,4-dimethoxyphenyl)-5-oxotetrahydrofuran-3-carboxamide
CID 4229368
2-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)-5-oxooxolane-3-carboxamide
CID 9551177
N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2107051
3-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 3506236
2-[(3,4-dimethoxyphenyl)(hydroxy)methyl]-N,N'-bis(3-isopropoxypropyl)succinamide
CID 3243428
N-cycloheptyl-2-(3,4-dimethoxyphenyl)-5-oxotetrahydrofuran-3-carboxamide
CID 3236247
2-(3,4-dimethoxyphenyl)-N-(4-methylbenzyl)-5-oxotetrahydrofuran-3-carboxamide
CID 16193950
N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide
CID 57327690
4-O-[2-methoxy-4-[(8-methylnonanoylamino)methyl]phenyl] 1-O-[4-(5-sulfanylidenedithiol-3-yl)phenyl] butanedioate
CID 145962406
Ethyl 4-(3,4-dimethoxyphenyl)-2-oxo-3-pyrrolidinecarboxylate
CID 13248011

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxooxolane-3-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxooxolane-3-carboxamide (CID 4229374) is 2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxooxolane-3-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxooxolane-3-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxooxolane-3-carboxamide is COc1ccc(C2OC(=O)CC2C(=O)NCc2ccc(F)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxooxolane-3-carboxamide?
The InChIKey is VLVQWIBNQGYKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO5/c1-25-16-8-5-13(9-17(16)26-2)19-15(10-18(23)27-19)20(24)22-11-12-3-6-14(21)7-4-12/h3-9,15,19H,10-11H2,1-2H3,(H,22,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxooxolane-3-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxooxolane-3-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxooxolane-3-carboxamide is sourced from PubChem (CID 4229374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).