2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide

C24H18F3N3O3 — CID 1291720

IUPAC2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1nc(-c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2ccccc2c1=O
InChIInChI=1S/C24H18F3N3O3/c1-30-23(32)20-8-3-2-7-19(20)22(29-30)15-9-11-18(12-10-15)33-14-21(31)28-17-6-4-5-16(13-17)24(25,26)27/h2-13H,14H2,1H3,(H,28,31)
InChIKeyMCIJYKIQEDZWJR-UHFFFAOYSA-N
MW453.42 g/mol
LogP4.64
Rot. Bonds5

About 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1291720) has the molecular formula C24H18F3N3O3 and a molecular weight of 453.42 g/mol. Its IUPAC name is 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID1291720
Molecular FormulaC24H18F3N3O3
Molecular Weight453.42 g/mol
Exact Mass453.13
IUPAC Name2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1nc(-c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2ccccc2c1=O
InChIInChI=1S/C24H18F3N3O3/c1-30-23(32)20-8-3-2-7-19(20)22(29-30)15-9-11-18(12-10-15)33-14-21(31)28-17-6-4-5-16(13-17)24(25,26)27/h2-13H,14H2,1H3,(H,28,31)
InChIKeyMCIJYKIQEDZWJR-UHFFFAOYSA-N
XLogP4.64
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1290808
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55515590
2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2126324
2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide
CID 112988067
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21366819
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 4006231
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 55375735
2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4733098
2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126153530
N-[3-(phenylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55524065
2-[4-(pyrrolidine-1-carbothioyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126247714

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1291720) is 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide is Cn1nc(-c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2ccccc2c1=O.
What is the InChIKey of 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MCIJYKIQEDZWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3/c1-30-23(32)20-8-3-2-7-19(20)22(29-30)15-9-11-18(12-10-15)33-14-21(31)28-17-6-4-5-16(13-17)24(25,26)27/h2-13H,14H2,1H3,(H,28,31).
What are the key properties of 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 453.42 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1291720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).