N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide

C16H12FN3O2 — CID 4163290

IUPACN-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1F
InChIInChI=1S/C16H12FN3O2/c1-9-6-7-10(8-13(9)17)18-16(22)14-11-4-2-3-5-12(11)15(21)20-19-14/h2-8H,1H3,(H,18,22)(H,20,21)
InChIKeyVQWSFNNJSIKUFA-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.62
Rot. Bonds2

About N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide

N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 4163290) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID4163290
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1F
InChIInChI=1S/C16H12FN3O2/c1-9-6-7-10(8-13(9)17)18-16(22)14-11-4-2-3-5-12(11)15(21)20-19-14/h2-8H,1H3,(H,18,22)(H,20,21)
InChIKeyVQWSFNNJSIKUFA-UHFFFAOYSA-N
XLogP2.62
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
N-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 18076741
5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide
CID 60904871
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide
CID 60555807
4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide
CID 2103773
3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 24652605
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 39027087
N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43429946
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 2496757
N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54706964
4-oxo-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3H-phthalazine-1-carboxamide
CID 166193163

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide (CID 4163290) is N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide is Cc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is VQWSFNNJSIKUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-9-6-7-10(8-13(9)17)18-16(22)14-11-4-2-3-5-12(11)15(21)20-19-14/h2-8H,1H3,(H,18,22)(H,20,21).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 4163290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).