N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide

C22H17N3O2 — CID 8760225

IUPACN-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C22H17N3O2/c1-15-11-13-16(14-12-15)23-21(26)20-18-9-5-6-10-19(18)22(27)25(24-20)17-7-3-2-4-8-17/h2-14H,1H3,(H,23,26)
InChIKeyYWJJLQCVKJDJFF-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.95
Rot. Bonds3

About N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide

N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 8760225) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID8760225
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C22H17N3O2/c1-15-11-13-16(14-12-15)23-21(26)20-18-9-5-6-10-19(18)22(27)25(24-20)17-7-3-2-4-8-17/h2-14H,1H3,(H,23,26)
InChIKeyYWJJLQCVKJDJFF-UHFFFAOYSA-N
XLogP3.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 7914088
N-(4-iodophenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4811491
N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 2483637
3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide
CID 2805931
N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26364775
N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 20970771
N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2664740
N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39949913
3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide
CID 3513203
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 5197386
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904
N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4810818

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide (CID 8760225) is N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide is Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is YWJJLQCVKJDJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-15-11-13-16(14-12-15)23-21(26)20-18-9-5-6-10-19(18)22(27)25(24-20)17-7-3-2-4-8-17/h2-14H,1H3,(H,23,26).
What are the key properties of N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 8760225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).