2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide

C21H18ClN3O5 — CID 91894912

IUPAC2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)NC(c3ccccc3Cl)C3=C2COC3=O)cc1
InChIInChI=1S/C21H18ClN3O5/c1-29-13-8-6-12(7-9-13)23-17(26)10-25-16-11-30-20(27)18(16)19(24-21(25)28)14-4-2-3-5-15(14)22/h2-9,19H,10-11H2,1H3,(H,23,26)(H,24,28)
InChIKeyZZEMBFMTPVYYNH-UHFFFAOYSA-N
MW427.84 g/mol
LogP2.86
Rot. Bonds5

About 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 91894912) has the molecular formula C21H18ClN3O5 and a molecular weight of 427.84 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID91894912
Molecular FormulaC21H18ClN3O5
Molecular Weight427.84 g/mol
Exact Mass427.09
IUPAC Name2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)NC(c3ccccc3Cl)C3=C2COC3=O)cc1
InChIInChI=1S/C21H18ClN3O5/c1-29-13-8-6-12(7-9-13)23-17(26)10-25-16-11-30-20(27)18(16)19(24-21(25)28)14-4-2-3-5-15(14)22/h2-9,19H,10-11H2,1H3,(H,23,26)(H,24,28)
InChIKeyZZEMBFMTPVYYNH-UHFFFAOYSA-N
XLogP2.86
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.84
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide 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 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 91894912) is 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2C(=O)NC(c3ccccc3Cl)C3=C2COC3=O)cc1.
What is the InChIKey of 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is ZZEMBFMTPVYYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O5/c1-29-13-8-6-12(7-9-13)23-17(26)10-25-16-11-30-20(27)18(16)19(24-21(25)28)14-4-2-3-5-15(14)22/h2-9,19H,10-11H2,1H3,(H,23,26)(H,24,28).
What are the key properties of 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 427.84 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 91894912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).