N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide

C22H19N3O3 — CID 3240081

IUPACN-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
SMILESCc1ccc(-c2nn(CC(=O)NCc3ccco3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C22H19N3O3/c1-15-8-10-16(11-9-15)21-18-6-2-3-7-19(18)22(27)25(24-21)14-20(26)23-13-17-5-4-12-28-17/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyBVSSDSFWGNAVGY-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.28
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide

N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide (PubChem CID 3240081) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
PubChem CID3240081
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
SMILESCc1ccc(-c2nn(CC(=O)NCc3ccco3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C22H19N3O3/c1-15-8-10-16(11-9-15)21-18-6-2-3-7-19(18)22(27)25(24-21)14-20(26)23-13-17-5-4-12-28-17/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyBVSSDSFWGNAVGY-UHFFFAOYSA-N
XLogP3.28
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
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-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide (CID 3240081) is N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide is Cc1ccc(-c2nn(CC(=O)NCc3ccco3)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
The InChIKey is BVSSDSFWGNAVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-15-8-10-16(11-9-15)21-18-6-2-3-7-19(18)22(27)25(24-21)14-20(26)23-13-17-5-4-12-28-17/h2-12H,13-14H2,1H3,(H,23,26).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide has a molecular weight of 373.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide is sourced from PubChem (CID 3240081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).