4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide

C22H14F3N3O3 — CID 35202250

IUPAC4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C22H14F3N3O3/c23-22(24,25)31-18-13-7-6-12-17(18)26-20(29)19-15-10-4-5-11-16(15)21(30)28(27-19)14-8-2-1-3-9-14/h1-13H,(H,26,29)
InChIKeyUXGSUJSIIPXDCO-UHFFFAOYSA-N
MW425.37 g/mol
LogP4.54
Rot. Bonds4

About 4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide

4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide (PubChem CID 35202250) has the molecular formula C22H14F3N3O3 and a molecular weight of 425.37 g/mol. Its IUPAC name is 4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide
PubChem CID35202250
Molecular FormulaC22H14F3N3O3
Molecular Weight425.37 g/mol
Exact Mass425.10
IUPAC Name4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C22H14F3N3O3/c23-22(24,25)31-18-13-7-6-12-17(18)26-20(29)19-15-10-4-5-11-16(15)21(30)28(27-19)14-8-2-1-3-9-14/h1-13H,(H,26,29)
InChIKeyUXGSUJSIIPXDCO-UHFFFAOYSA-N
XLogP4.54
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39949913
N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4810818
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 29298199
N-(4-iodophenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4811491
5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide
CID 24825153
N-(2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2083465
N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3490690
N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26884366
N-(4-tert-butylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 7914088
N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
6-methyl-4-oxo-N-[2-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 27298636
N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26364775

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide (CID 35202250) is 4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide?
The InChIKey is UXGSUJSIIPXDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O3/c23-22(24,25)31-18-13-7-6-12-17(18)26-20(29)19-15-10-4-5-11-16(15)21(30)28(27-19)14-8-2-1-3-9-14/h1-13H,(H,26,29).
What are the key properties of 4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide?
4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide has a molecular weight of 425.37 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide is sourced from PubChem (CID 35202250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).