N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-fluoro-2-phenylacetamide

C22H15ClFN3O2 — CID 53239330

IUPACN-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-fluoro-2-phenylacetamide
SMILESO=C(Nn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)C(F)c1ccccc1
InChIInChI=1S/C22H15ClFN3O2/c23-16-12-10-15(11-13-16)20-17-8-4-5-9-18(17)22(29)27(25-20)26-21(28)19(24)14-6-2-1-3-7-14/h1-13,19H,(H,26,28)
InChIKeyIBLXYOXZCOMKAT-UHFFFAOYSA-N
MW407.83 g/mol
LogP4.50
Rot. Bonds4

About N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-fluoro-2-phenylacetamide

N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-fluoro-2-phenylacetamide (PubChem CID 53239330) has the molecular formula C22H15ClFN3O2 and a molecular weight of 407.83 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-fluoro-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-fluoro-2-phenylacetamide
PubChem CID53239330
Molecular FormulaC22H15ClFN3O2
Molecular Weight407.83 g/mol
Exact Mass407.08
IUPAC NameN-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-fluoro-2-phenylacetamide
SMILESO=C(Nn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)C(F)c1ccccc1
InChIInChI=1S/C22H15ClFN3O2/c23-16-12-10-15(11-13-16)20-17-8-4-5-9-18(17)22(29)27(25-20)26-21(28)19(24)14-6-2-1-3-7-14/h1-13,19H,(H,26,28)
InChIKeyIBLXYOXZCOMKAT-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-fluoro-2-phenylacetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-fluoro-2-phenylacetamide (CID 53239330) is N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-fluoro-2-phenylacetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-fluoro-2-phenylacetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-fluoro-2-phenylacetamide is O=C(Nn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)C(F)c1ccccc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-fluoro-2-phenylacetamide?
The InChIKey is IBLXYOXZCOMKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O2/c23-16-12-10-15(11-13-16)20-17-8-4-5-9-18(17)22(29)27(25-20)26-21(28)19(24)14-6-2-1-3-7-14/h1-13,19H,(H,26,28).
What are the key properties of N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-fluoro-2-phenylacetamide?
N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-fluoro-2-phenylacetamide has a molecular weight of 407.83 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-fluoro-2-phenylacetamide is sourced from PubChem (CID 53239330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).