N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C18H15F2N3O3 — CID 71890002

IUPACN-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCOc1c(F)cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1F
InChIInChI=1S/C18H15F2N3O3/c1-23-18(25)12-6-4-3-5-11(12)15(22-23)9-16(24)21-10-7-13(19)17(26-2)14(20)8-10/h3-8H,9H2,1-2H3,(H,21,24)
InChIKeyKUJIFQZTRKICAF-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.40
Rot. Bonds4

About N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 71890002) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID71890002
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC NameN-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCOc1c(F)cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1F
InChIInChI=1S/C18H15F2N3O3/c1-23-18(25)12-6-4-3-5-11(12)15(22-23)9-16(24)21-10-7-13(19)17(26-2)14(20)8-10/h3-8H,9H2,1-2H3,(H,21,24)
InChIKeyKUJIFQZTRKICAF-UHFFFAOYSA-N
XLogP2.40
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 34607272
N-(4-bromo-2-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 5077744
2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 30754178
N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 7578327
N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17122264
N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide
CID 55796721
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17321943
N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514
N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71552342
N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 55799265
N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 56761805
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55657207

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 71890002) is N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is COc1c(F)cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1F.
What is the InChIKey of N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is KUJIFQZTRKICAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-23-18(25)12-6-4-3-5-11(12)15(22-23)9-16(24)21-10-7-13(19)17(26-2)14(20)8-10/h3-8H,9H2,1-2H3,(H,21,24).
What are the key properties of N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 359.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 71890002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).