N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C17H14FN3O2 — CID 709340

IUPACN-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2)c(=O)c2ccccc12
InChIInChI=1S/C17H14FN3O2/c1-11-14-4-2-3-5-15(14)17(23)21(20-11)10-16(22)19-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,19,22)
InChIKeyTYLVIVUXRRRIIG-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.48
Rot. Bonds3

About N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 709340) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID709340
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2)c(=O)c2ccccc12
InChIInChI=1S/C17H14FN3O2/c1-11-14-4-2-3-5-15(14)17(23)21(20-11)10-16(22)19-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,19,22)
InChIKeyTYLVIVUXRRRIIG-UHFFFAOYSA-N
XLogP2.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 709340) is N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(=O)Nc2ccc(F)cc2)c(=O)c2ccccc12.
What is the InChIKey of N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is TYLVIVUXRRRIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-11-14-4-2-3-5-15(14)17(23)21(20-11)10-16(22)19-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 311.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 709340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).