2-(4-chlorophenyl)-N-(6-fluoro-1-oxo-4-phenylphthalazin-2-yl)acetamide

C22H15ClFN3O2 — CID 53237967

IUPAC2-(4-chlorophenyl)-N-(6-fluoro-1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nn1nc(-c2ccccc2)c2cc(F)ccc2c1=O
InChIInChI=1S/C22H15ClFN3O2/c23-16-8-6-14(7-9-16)12-20(28)25-27-22(29)18-11-10-17(24)13-19(18)21(26-27)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,25,28)
InChIKeyVCWQFRHIALDQDZ-UHFFFAOYSA-N
MW407.83 g/mol
LogP4.17
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(6-fluoro-1-oxo-4-phenylphthalazin-2-yl)acetamide

2-(4-chlorophenyl)-N-(6-fluoro-1-oxo-4-phenylphthalazin-2-yl)acetamide (PubChem CID 53237967) has the molecular formula C22H15ClFN3O2 and a molecular weight of 407.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(6-fluoro-1-oxo-4-phenylphthalazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(6-fluoro-1-oxo-4-phenylphthalazin-2-yl)acetamide
PubChem CID53237967
Molecular FormulaC22H15ClFN3O2
Molecular Weight407.83 g/mol
Exact Mass407.08
IUPAC Name2-(4-chlorophenyl)-N-(6-fluoro-1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nn1nc(-c2ccccc2)c2cc(F)ccc2c1=O
InChIInChI=1S/C22H15ClFN3O2/c23-16-8-6-14(7-9-16)12-20(28)25-27-22(29)18-11-10-17(24)13-19(18)21(26-27)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,25,28)
InChIKeyVCWQFRHIALDQDZ-UHFFFAOYSA-N
XLogP4.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.83
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(6-fluoro-1-oxo-4-phenylphthalazin-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(6-fluoro-1-oxo-4-phenylphthalazin-2-yl)acetamide (CID 53237967) is 2-(4-chlorophenyl)-N-(6-fluoro-1-oxo-4-phenylphthalazin-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(6-fluoro-1-oxo-4-phenylphthalazin-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(6-fluoro-1-oxo-4-phenylphthalazin-2-yl)acetamide is O=C(Cc1ccc(Cl)cc1)Nn1nc(-c2ccccc2)c2cc(F)ccc2c1=O.
What is the InChIKey of 2-(4-chlorophenyl)-N-(6-fluoro-1-oxo-4-phenylphthalazin-2-yl)acetamide?
The InChIKey is VCWQFRHIALDQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O2/c23-16-8-6-14(7-9-16)12-20(28)25-27-22(29)18-11-10-17(24)13-19(18)21(26-27)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,25,28).
What are the key properties of 2-(4-chlorophenyl)-N-(6-fluoro-1-oxo-4-phenylphthalazin-2-yl)acetamide?
2-(4-chlorophenyl)-N-(6-fluoro-1-oxo-4-phenylphthalazin-2-yl)acetamide has a molecular weight of 407.83 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(6-fluoro-1-oxo-4-phenylphthalazin-2-yl)acetamide is sourced from PubChem (CID 53237967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).