N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C24H21N3O2 — CID 51208461

IUPACN-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccccc2Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C24H21N3O2/c1-17-20-12-6-7-13-21(20)24(29)27(26-17)16-23(28)25-22-14-8-5-11-19(22)15-18-9-3-2-4-10-18/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeyUTJJYXVTTPLSAX-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.93
Rot. Bonds5

About N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 51208461) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID51208461
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccccc2Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C24H21N3O2/c1-17-20-12-6-7-13-21(20)24(29)27(26-17)16-23(28)25-22-14-8-5-11-19(22)15-18-9-3-2-4-10-18/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeyUTJJYXVTTPLSAX-UHFFFAOYSA-N
XLogP3.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36526843
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 134038906
2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide
CID 55390619
N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 38283424
2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 35569050
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857342
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 38295923

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 51208461) is N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(=O)Nc2ccccc2Cc2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is UTJJYXVTTPLSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-17-20-12-6-7-13-21(20)24(29)27(26-17)16-23(28)25-22-14-8-5-11-19(22)15-18-9-3-2-4-10-18/h2-14H,15-16H2,1H3,(H,25,28).
What are the key properties of N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 383.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 51208461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).