N-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide

C21H17N3O3 — CID 18100582

IUPACN-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide
SMILESCn1nc(C(=O)N(Cc2ccco2)c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C21H17N3O3/c1-23-20(25)18-12-6-5-11-17(18)19(22-23)21(26)24(14-16-10-7-13-27-16)15-8-3-2-4-9-15/h2-13H,14H2,1H3
InChIKeyCZSAMLDDFGSOAF-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.37
Rot. Bonds4

About N-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide

N-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide (PubChem CID 18100582) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide
PubChem CID18100582
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide
SMILESCn1nc(C(=O)N(Cc2ccco2)c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C21H17N3O3/c1-23-20(25)18-12-6-5-11-17(18)19(22-23)21(26)24(14-16-10-7-13-27-16)15-8-3-2-4-9-15/h2-13H,14H2,1H3
InChIKeyCZSAMLDDFGSOAF-UHFFFAOYSA-N
XLogP3.37
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-(4-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 31963957
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 7675404
N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide
CID 4854734
N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide
CID 4807510
N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9141827
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9450575
1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide
CID 18100629
N-benzyl-3-methyl-4-oxo-N-propan-2-ylphthalazine-1-carboxamide
CID 18143283
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7944532
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 55447584
N-(furan-2-ylmethyl)-3,5-dimethoxy-N-phenylbenzamide
CID 18100555
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 2483251

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide (CID 18100582) is N-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide is Cn1nc(C(=O)N(Cc2ccco2)c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide?
The InChIKey is CZSAMLDDFGSOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-23-20(25)18-12-6-5-11-17(18)19(22-23)21(26)24(14-16-10-7-13-27-16)15-8-3-2-4-9-15/h2-13H,14H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide?
N-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 18100582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).