N-[1-oxo-4-(trifluoromethyl)phthalazin-2-yl]acetamide

C11H8F3N3O2 — CID 177251722

IUPACN-[1-oxo-4-(trifluoromethyl)phthalazin-2-yl]acetamide
SMILESCC(=O)Nn1nc(C(F)(F)F)c2ccccc2c1=O
InChIInChI=1S/C11H8F3N3O2/c1-6(18)15-17-10(19)8-5-3-2-4-7(8)9(16-17)11(12,13)14/h2-5H,1H3,(H,15,18)
InChIKeyPWSJLGIGDYGKIR-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.51
Rot. Bonds1

About N-[1-oxo-4-(trifluoromethyl)phthalazin-2-yl]acetamide

N-[1-oxo-4-(trifluoromethyl)phthalazin-2-yl]acetamide (PubChem CID 177251722) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N-[1-oxo-4-(trifluoromethyl)phthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-oxo-4-(trifluoromethyl)phthalazin-2-yl]acetamide
PubChem CID177251722
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC NameN-[1-oxo-4-(trifluoromethyl)phthalazin-2-yl]acetamide
SMILESCC(=O)Nn1nc(C(F)(F)F)c2ccccc2c1=O
InChIInChI=1S/C11H8F3N3O2/c1-6(18)15-17-10(19)8-5-3-2-4-7(8)9(16-17)11(12,13)14/h2-5H,1H3,(H,15,18)
InChIKeyPWSJLGIGDYGKIR-UHFFFAOYSA-N
XLogP1.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-4-(trifluoromethyl)phthalazin-2-yl]acetamide?
The IUPAC name of N-[1-oxo-4-(trifluoromethyl)phthalazin-2-yl]acetamide (CID 177251722) is N-[1-oxo-4-(trifluoromethyl)phthalazin-2-yl]acetamide.
What is the SMILES notation for N-[1-oxo-4-(trifluoromethyl)phthalazin-2-yl]acetamide?
The canonical SMILES for N-[1-oxo-4-(trifluoromethyl)phthalazin-2-yl]acetamide is CC(=O)Nn1nc(C(F)(F)F)c2ccccc2c1=O.
What is the InChIKey of N-[1-oxo-4-(trifluoromethyl)phthalazin-2-yl]acetamide?
The InChIKey is PWSJLGIGDYGKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c1-6(18)15-17-10(19)8-5-3-2-4-7(8)9(16-17)11(12,13)14/h2-5H,1H3,(H,15,18).
What are the key properties of N-[1-oxo-4-(trifluoromethyl)phthalazin-2-yl]acetamide?
N-[1-oxo-4-(trifluoromethyl)phthalazin-2-yl]acetamide has a molecular weight of 271.20 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-4-(trifluoromethyl)phthalazin-2-yl]acetamide is sourced from PubChem (CID 177251722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).