2-(3,5-difluorophenyl)-N-[4-(3-methylthiophen-2-yl)-1-oxophthalazin-2-yl]acetamide

C21H15F2N3O2S — CID 70976097

IUPAC2-(3,5-difluorophenyl)-N-[4-(3-methylthiophen-2-yl)-1-oxophthalazin-2-yl]acetamide
SMILESCc1ccsc1-c1nn(NC(=O)Cc2cc(F)cc(F)c2)c(=O)c2ccccc12
InChIInChI=1S/C21H15F2N3O2S/c1-12-6-7-29-20(12)19-16-4-2-3-5-17(16)21(28)26(25-19)24-18(27)10-13-8-14(22)11-15(23)9-13/h2-9,11H,10H2,1H3,(H,24,27)
InChIKeyWBQOHYLIYSNSGC-UHFFFAOYSA-N
MW411.43 g/mol
LogP4.02
Rot. Bonds4

About 2-(3,5-difluorophenyl)-N-[4-(3-methylthiophen-2-yl)-1-oxophthalazin-2-yl]acetamide

2-(3,5-difluorophenyl)-N-[4-(3-methylthiophen-2-yl)-1-oxophthalazin-2-yl]acetamide (PubChem CID 70976097) has the molecular formula C21H15F2N3O2S and a molecular weight of 411.43 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[4-(3-methylthiophen-2-yl)-1-oxophthalazin-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[4-(3-methylthiophen-2-yl)-1-oxophthalazin-2-yl]acetamide
PubChem CID70976097
Molecular FormulaC21H15F2N3O2S
Molecular Weight411.43 g/mol
Exact Mass411.09
IUPAC Name2-(3,5-difluorophenyl)-N-[4-(3-methylthiophen-2-yl)-1-oxophthalazin-2-yl]acetamide
SMILESCc1ccsc1-c1nn(NC(=O)Cc2cc(F)cc(F)c2)c(=O)c2ccccc12
InChIInChI=1S/C21H15F2N3O2S/c1-12-6-7-29-20(12)19-16-4-2-3-5-17(16)21(28)26(25-19)24-18(27)10-13-8-14(22)11-15(23)9-13/h2-9,11H,10H2,1H3,(H,24,27)
InChIKeyWBQOHYLIYSNSGC-UHFFFAOYSA-N
XLogP4.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-difluorophenyl)-N-[4-(3-methylthiophen-2-yl)-1-oxophthalazin-2-yl]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-(3,5-difluorophenyl)-N-[4-(3-methylthiophen-2-yl)-1-oxophthalazin-2-yl]acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[4-(3-methylthiophen-2-yl)-1-oxophthalazin-2-yl]acetamide (CID 70976097) is 2-(3,5-difluorophenyl)-N-[4-(3-methylthiophen-2-yl)-1-oxophthalazin-2-yl]acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[4-(3-methylthiophen-2-yl)-1-oxophthalazin-2-yl]acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[4-(3-methylthiophen-2-yl)-1-oxophthalazin-2-yl]acetamide is Cc1ccsc1-c1nn(NC(=O)Cc2cc(F)cc(F)c2)c(=O)c2ccccc12.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[4-(3-methylthiophen-2-yl)-1-oxophthalazin-2-yl]acetamide?
The InChIKey is WBQOHYLIYSNSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2S/c1-12-6-7-29-20(12)19-16-4-2-3-5-17(16)21(28)26(25-19)24-18(27)10-13-8-14(22)11-15(23)9-13/h2-9,11H,10H2,1H3,(H,24,27).
What are the key properties of 2-(3,5-difluorophenyl)-N-[4-(3-methylthiophen-2-yl)-1-oxophthalazin-2-yl]acetamide?
2-(3,5-difluorophenyl)-N-[4-(3-methylthiophen-2-yl)-1-oxophthalazin-2-yl]acetamide has a molecular weight of 411.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[4-(3-methylthiophen-2-yl)-1-oxophthalazin-2-yl]acetamide is sourced from PubChem (CID 70976097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).