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

C20H20ClNO5 — CID 4229368

IUPACN-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide
SMILESCOc1ccc(C2OC(=O)CC2C(=O)NCc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H20ClNO5/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)
InChIKeyLXWOKFDYRNWZRB-UHFFFAOYSA-N
MW389.84 g/mol
LogP3.28
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide (PubChem CID 4229368) has the molecular formula C20H20ClNO5 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide
PubChem CID4229368
Molecular FormulaC20H20ClNO5
Molecular Weight389.84 g/mol
Exact Mass389.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide
SMILESCOc1ccc(C2OC(=O)CC2C(=O)NCc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H20ClNO5/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)
InChIKeyLXWOKFDYRNWZRB-UHFFFAOYSA-N
XLogP3.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide (CID 4229368) is N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide is COc1ccc(C2OC(=O)CC2C(=O)NCc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide?
The InChIKey is LXWOKFDYRNWZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO5/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 N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide is sourced from PubChem (CID 4229368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).