2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide

C19H13F2N3O4 — CID 30935655

IUPAC2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide
SMILESO=C(Cn1cnc(-c2ccc3c(c2)OCO3)cc1=O)Nc1cc(F)ccc1F
InChIInChI=1S/C19H13F2N3O4/c20-12-2-3-13(21)15(6-12)23-18(25)8-24-9-22-14(7-19(24)26)11-1-4-16-17(5-11)28-10-27-16/h1-7,9H,8,10H2,(H,23,25)
InChIKeyQAYLIPJUMITQSR-UHFFFAOYSA-N
MW385.33 g/mol
LogP2.56
Rot. Bonds4

About 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide

2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide (PubChem CID 30935655) has the molecular formula C19H13F2N3O4 and a molecular weight of 385.33 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide
PubChem CID30935655
Molecular FormulaC19H13F2N3O4
Molecular Weight385.33 g/mol
Exact Mass385.09
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide
SMILESO=C(Cn1cnc(-c2ccc3c(c2)OCO3)cc1=O)Nc1cc(F)ccc1F
InChIInChI=1S/C19H13F2N3O4/c20-12-2-3-13(21)15(6-12)23-18(25)8-24-9-22-14(7-19(24)26)11-1-4-16-17(5-11)28-10-27-16/h1-7,9H,8,10H2,(H,23,25)
InChIKeyQAYLIPJUMITQSR-UHFFFAOYSA-N
XLogP2.56
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide 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-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 30935496
2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide
CID 30935532
N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090685
2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 30935640
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55576746
N-(2,5-difluorophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858972
N-(2-chlorophenyl)-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetamide
CID 30935880
N-(2,5-difluorophenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956850
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 1080255
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9450450
N-(2,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 7457680
2-[4-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide
CID 4674873

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide (CID 30935655) is 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide is O=C(Cn1cnc(-c2ccc3c(c2)OCO3)cc1=O)Nc1cc(F)ccc1F.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide?
The InChIKey is QAYLIPJUMITQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O4/c20-12-2-3-13(21)15(6-12)23-18(25)8-24-9-22-14(7-19(24)26)11-1-4-16-17(5-11)28-10-27-16/h1-7,9H,8,10H2,(H,23,25).
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide?
2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide has a molecular weight of 385.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 30935655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).