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

C23H18ClN3O2 — CID 1385157

IUPACN-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
SMILESCc1ccc(-c2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C23H18ClN3O2/c1-15-9-11-16(12-10-15)22-19-7-2-3-8-20(19)23(29)27(26-22)14-21(28)25-18-6-4-5-17(24)13-18/h2-13H,14H2,1H3,(H,25,28)
InChIKeyUUOLGBDUIXDDHL-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.66
Rot. Bonds4

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

N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide (PubChem CID 1385157) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
PubChem CID1385157
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
SMILESCc1ccc(-c2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C23H18ClN3O2/c1-15-9-11-16(12-10-15)22-19-7-2-3-8-20(19)23(29)27(26-22)14-21(28)25-18-6-4-5-17(24)13-18/h2-13H,14H2,1H3,(H,25,28)
InChIKeyUUOLGBDUIXDDHL-UHFFFAOYSA-N
XLogP4.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1417632
N-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide
CID 1419297
N-(3-chlorophenyl)-2-[4-(3-nitrophenyl)-1-oxophthalazin-2-yl]acetamide
CID 1422902
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methylphenyl)acetamide
CID 1080053
N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 5008520
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide
CID 3911125
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 1309611
2-(4-methyl-1-oxophthalazin-2-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide
CID 3348679
N-(3-chlorophenyl)-2-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 46358080
N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50812888

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide (CID 1385157) is N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide is Cc1ccc(-c2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
The InChIKey is UUOLGBDUIXDDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-15-9-11-16(12-10-15)22-19-7-2-3-8-20(19)23(29)27(26-22)14-21(28)25-18-6-4-5-17(24)13-18/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide has a molecular weight of 403.87 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide is sourced from PubChem (CID 1385157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).