3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide

C23H18FN3O2 — CID 24652605

IUPAC3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide
SMILESCc1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1F
InChIInChI=1S/C23H18FN3O2/c1-15-11-12-17(13-20(15)24)25-22(28)21-18-9-5-6-10-19(18)23(29)27(26-21)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,28)
InChIKeyQMQKOTDKQXROIB-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.14
Rot. Bonds4

About 3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide

3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide (PubChem CID 24652605) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide
PubChem CID24652605
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide
SMILESCc1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1F
InChIInChI=1S/C23H18FN3O2/c1-15-11-12-17(13-20(15)24)25-22(28)21-18-9-5-6-10-19(18)23(29)27(26-21)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,28)
InChIKeyQMQKOTDKQXROIB-UHFFFAOYSA-N
XLogP4.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-benzyl-N-(3-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 50927803
3-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)-4-oxophthalazine-1-carboxamide
CID 26683215
3-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-oxophthalazine-1-carboxamide
CID 55658035
3-benzyl-N-(4-carbamoyl-3-chlorophenyl)-4-oxophthalazine-1-carboxamide
CID 39170985
3-benzyl-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-4-oxophthalazine-1-carboxamide
CID 55722140
3-benzyl-N-(2-methyl-5-methylsulfonylphenyl)-4-oxophthalazine-1-carboxamide
CID 27990833
3-benzyl-N-[3-(cyclopropanecarbonylamino)phenyl]-4-oxophthalazine-1-carboxamide
CID 46570301
3-benzyl-4-oxo-N-pyridin-3-ylphthalazine-1-carboxamide
CID 26592291
3-benzyl-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-4-oxophthalazine-1-carboxamide
CID 55948467
3-benzyl-N-(2-bromo-4-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 3450675
3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 4797057
3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 3282398

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide (CID 24652605) is 3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide is Cc1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1F.
What is the InChIKey of 3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is QMQKOTDKQXROIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-15-11-12-17(13-20(15)24)25-22(28)21-18-9-5-6-10-19(18)23(29)27(26-21)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of 3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide?
3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 24652605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).