2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide

C17H14FN3O3 — CID 40723305

IUPAC2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide
SMILESCc1ccc(F)c(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1
InChIInChI=1S/C17H14FN3O3/c1-10-6-7-13(18)14(8-10)19-15(22)9-21-17(24)12-5-3-2-4-11(12)16(23)20-21/h2-8H,9H2,1H3,(H,19,22)(H,20,23)
InChIKeyORSLUNJWXURZST-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.78
Rot. Bonds3

About 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide (PubChem CID 40723305) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide
PubChem CID40723305
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide
SMILESCc1ccc(F)c(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1
InChIInChI=1S/C17H14FN3O3/c1-10-6-7-13(18)14(8-10)19-15(22)9-21-17(24)12-5-3-2-4-11(12)16(23)20-21/h2-8H,9H2,1H3,(H,19,22)(H,20,23)
InChIKeyORSLUNJWXURZST-UHFFFAOYSA-N
XLogP1.78
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 4786503
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide
CID 40723465
N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2083338
N-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2524022
N-(3-chloro-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9146070
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]acetamide
CID 86965405
N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9412227
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide
CID 40711272
N-(2-fluoro-5-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 954284
2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide
CID 9182098
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-iodophenyl)acetamide
CID 26757705
3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 55886811

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide?
The IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide (CID 40723305) is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide?
The canonical SMILES for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide is Cc1ccc(F)c(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1.
What is the InChIKey of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide?
The InChIKey is ORSLUNJWXURZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-10-6-7-13(18)14(8-10)19-15(22)9-21-17(24)12-5-3-2-4-11(12)16(23)20-21/h2-8H,9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide?
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide has a molecular weight of 327.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide is sourced from PubChem (CID 40723305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).