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

C17H12F3N3O2 — CID 18075195

IUPAC3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc2c1=O
InChIInChI=1S/C17H12F3N3O2/c1-23-16(25)11-7-3-2-6-10(11)14(22-23)15(24)21-13-9-5-4-8-12(13)17(18,19)20/h2-9H,1H3,(H,21,24)
InChIKeyJDMVZYDYYFYDPL-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.20
Rot. Bonds2

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

3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide (PubChem CID 18075195) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
PubChem CID18075195
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc2c1=O
InChIInChI=1S/C17H12F3N3O2/c1-23-16(25)11-7-3-2-6-10(11)14(22-23)15(24)21-13-9-5-4-8-12(13)17(18,19)20/h2-9H,1H3,(H,21,24)
InChIKeyJDMVZYDYYFYDPL-UHFFFAOYSA-N
XLogP3.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7948525
3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide
CID 2678485
methyl 2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 4812601
N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2591019
N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2704863
N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 2670711
N-(2-chloro-4-fluorophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4810793
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810
N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2710143
1-methyl-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585546
N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2666384
4-methyl-3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 9402137

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide (CID 18075195) is 3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide is Cn1nc(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide?
The InChIKey is JDMVZYDYYFYDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c1-23-16(25)11-7-3-2-6-10(11)14(22-23)15(24)21-13-9-5-4-8-12(13)17(18,19)20/h2-9H,1H3,(H,21,24).
What are the key properties of 3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide?
3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide has a molecular weight of 347.30 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide is sourced from PubChem (CID 18075195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).