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

C23H18ClN3O2 — CID 53238661

IUPACN-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nn2nc(-c3ccc(Cl)cc3)c3ccccc3c2=O)c1
InChIInChI=1S/C23H18ClN3O2/c1-15-5-4-6-16(13-15)14-21(28)25-27-23(29)20-8-3-2-7-19(20)22(26-27)17-9-11-18(24)12-10-17/h2-13H,14H2,1H3,(H,25,28)
InChIKeyOCQHLXUYBSZFBJ-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.34
Rot. Bonds4

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

N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-(3-methylphenyl)acetamide (PubChem CID 53238661) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-(3-methylphenyl)acetamide
PubChem CID53238661
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nn2nc(-c3ccc(Cl)cc3)c3ccccc3c2=O)c1
InChIInChI=1S/C23H18ClN3O2/c1-15-5-4-6-16(13-15)14-21(28)25-27-23(29)20-8-3-2-7-19(20)22(26-27)17-9-11-18(24)12-10-17/h2-13H,14H2,1H3,(H,25,28)
InChIKeyOCQHLXUYBSZFBJ-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide
CID 53238894
2-(4-chlorophenyl)-N-[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]acetamide;4-(2,5-dimethylphenyl)-2H-phthalazin-1-one
CID 67216561
2-(4-chlorophenyl)-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide
CID 70975926
2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 70976210
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide
CID 70975758
N-(4-tert-butylsulfanyl-1-oxophthalazin-2-yl)-2-(4-chlorophenyl)acetamide
CID 70976061
N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide
CID 1287300
N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157
2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide
CID 70976085
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methylphenyl)acetamide
CID 1080053
2-(3,5-difluorophenyl)-N-[4-(3-methylthiophen-2-yl)-1-oxophthalazin-2-yl]acetamide
CID 70976097
2-(4-chlorophenyl)-N-(1-oxo-4-pyridin-4-ylsulfanylphthalazin-2-yl)acetamide
CID 70975971

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-(3-methylphenyl)acetamide (CID 53238661) is N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nn2nc(-c3ccc(Cl)cc3)c3ccccc3c2=O)c1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-(3-methylphenyl)acetamide?
The InChIKey is OCQHLXUYBSZFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-15-5-4-6-16(13-15)14-21(28)25-27-23(29)20-8-3-2-7-19(20)22(26-27)17-9-11-18(24)12-10-17/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-(3-methylphenyl)acetamide?
N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-(3-methylphenyl)acetamide has a molecular weight of 403.87 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 53238661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).