2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide

C23H25ClN4O3 — CID 70976085

IUPAC2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide
SMILESCC(C)(C)CNC(=O)Cc1nn(NC(=O)Cc2ccc(Cl)cc2)c(=O)c2ccccc12
InChIInChI=1S/C23H25ClN4O3/c1-23(2,3)14-25-20(29)13-19-17-6-4-5-7-18(17)22(31)28(26-19)27-21(30)12-15-8-10-16(24)11-9-15/h4-11H,12-14H2,1-3H3,(H,25,29)(H,27,30)
InChIKeyAMCWGYOSJGFWRE-UHFFFAOYSA-N
MW440.93 g/mol
LogP3.07
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide

2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide (PubChem CID 70976085) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide
PubChem CID70976085
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide
SMILESCC(C)(C)CNC(=O)Cc1nn(NC(=O)Cc2ccc(Cl)cc2)c(=O)c2ccccc12
InChIInChI=1S/C23H25ClN4O3/c1-23(2,3)14-25-20(29)13-19-17-6-4-5-7-18(17)22(31)28(26-19)27-21(30)12-15-8-10-16(24)11-9-15/h4-11H,12-14H2,1-3H3,(H,25,29)(H,27,30)
InChIKeyAMCWGYOSJGFWRE-UHFFFAOYSA-N
XLogP3.07
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylsulfanyl-1-oxophthalazin-2-yl)-2-(4-chlorophenyl)acetamide
CID 70976061
cyclohexyl N-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-oxophthalazin-1-yl]methyl]carbamate
CID 123960931
2-(4-bromophenyl)-N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide
CID 53238894
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide
CID 70975758
2-(4-chlorophenyl)-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide
CID 70975926
2-(4-chlorophenyl)-N-(1-oxo-4-pyridin-4-ylsulfanylphthalazin-2-yl)acetamide
CID 70975971
N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide
CID 70975827
2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide
CID 70975892
N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-(3-methylphenyl)acetamide
CID 53238661
2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide
CID 90490236
2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110146
2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 110663977

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide (CID 70976085) is 2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide is CC(C)(C)CNC(=O)Cc1nn(NC(=O)Cc2ccc(Cl)cc2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide?
The InChIKey is AMCWGYOSJGFWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-23(2,3)14-25-20(29)13-19-17-6-4-5-7-18(17)22(31)28(26-19)27-21(30)12-15-8-10-16(24)11-9-15/h4-11H,12-14H2,1-3H3,(H,25,29)(H,27,30).
What are the key properties of 2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide?
2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide has a molecular weight of 440.93 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide is sourced from PubChem (CID 70976085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).