N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide

C22H16FN3O2 — CID 4810818

IUPACN-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C22H16FN3O2/c1-14-11-12-15(23)13-19(14)24-21(27)20-17-9-5-6-10-18(17)22(28)26(25-20)16-7-3-2-4-8-16/h2-13H,1H3,(H,24,27)
InChIKeyYVDBGXWBJSZDAR-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.09
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide

N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 4810818) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID4810818
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC NameN-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C22H16FN3O2/c1-14-11-12-15(23)13-19(14)24-21(27)20-17-9-5-6-10-18(17)22(28)26(25-20)16-7-3-2-4-8-16/h2-13H,1H3,(H,24,27)
InChIKeyYVDBGXWBJSZDAR-UHFFFAOYSA-N
XLogP4.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39949913
N-(5-fluoro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799414
N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide
CID 35202250
N-(4-iodophenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4811491
N-(2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2083465
N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26884366
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 5197386
3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 15992156
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 126478832
N-(4-tert-butylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 7914088
N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9104456

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide (CID 4810818) is N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide is Cc1ccc(F)cc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is YVDBGXWBJSZDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c1-14-11-12-15(23)13-19(14)24-21(27)20-17-9-5-6-10-18(17)22(28)26(25-20)16-7-3-2-4-8-16/h2-13H,1H3,(H,24,27).
What are the key properties of N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 4810818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).