N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide

C23H17Cl2N3O2 — CID 1417632

IUPACN-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
SMILESCc1ccc(-c2nn(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C23H17Cl2N3O2/c1-14-6-8-15(9-7-14)22-17-4-2-3-5-18(17)23(30)28(27-22)13-21(29)26-16-10-11-19(24)20(25)12-16/h2-12H,13H2,1H3,(H,26,29)
InChIKeyDMDKZRSFASHRRQ-UHFFFAOYSA-N
MW438.31 g/mol
LogP5.32
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide

N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide (PubChem CID 1417632) has the molecular formula C23H17Cl2N3O2 and a molecular weight of 438.31 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
PubChem CID1417632
Molecular FormulaC23H17Cl2N3O2
Molecular Weight438.31 g/mol
Exact Mass437.07
IUPAC NameN-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
SMILESCc1ccc(-c2nn(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C23H17Cl2N3O2/c1-14-6-8-15(9-7-14)22-17-4-2-3-5-18(17)23(30)28(27-22)13-21(29)26-16-10-11-19(24)20(25)12-16/h2-12H,13H2,1H3,(H,26,29)
InChIKeyDMDKZRSFASHRRQ-UHFFFAOYSA-N
XLogP5.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.31
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 5008520
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methylphenyl)acetamide
CID 1080053
N-(3-chloro-4-fluorophenyl)-2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide
CID 18288671
N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 16905922
2-(4-methyl-1-oxophthalazin-2-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide
CID 3348679
N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide
CID 3911125
2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 55674390
N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide
CID 1080064
4-(4-methylphenyl)-2-phenacylphthalazin-1-one
CID 22333322
N-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide
CID 1419297

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide (CID 1417632) is N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide is Cc1ccc(-c2nn(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
The InChIKey is DMDKZRSFASHRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O2/c1-14-6-8-15(9-7-14)22-17-4-2-3-5-18(17)23(30)28(27-22)13-21(29)26-16-10-11-19(24)20(25)12-16/h2-12H,13H2,1H3,(H,26,29).
What are the key properties of N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide has a molecular weight of 438.31 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide is sourced from PubChem (CID 1417632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).