3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methylbenzamide

C23H18FN3O — CID 11848889

IUPAC3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1-c1ccc2c(-c3ccc(F)cc3C)nncc2c1
InChIInChI=1S/C23H18FN3O/c1-13-3-4-16(23(25)28)11-21(13)15-5-7-20-17(10-15)12-26-27-22(20)19-8-6-18(24)9-14(19)2/h3-12H,1-2H3,(H2,25,28)
InChIKeyVNAQZUHTNDXCGY-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.82
Rot. Bonds3

About 3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methylbenzamide

3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methylbenzamide (PubChem CID 11848889) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is 3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methylbenzamide
PubChem CID11848889
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC Name3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1-c1ccc2c(-c3ccc(F)cc3C)nncc2c1
InChIInChI=1S/C23H18FN3O/c1-13-3-4-16(23(25)28)11-21(13)15-5-7-20-17(10-15)12-26-27-22(20)19-8-6-18(24)9-14(19)2/h3-12H,1-2H3,(H2,25,28)
InChIKeyVNAQZUHTNDXCGY-UHFFFAOYSA-N
XLogP4.82
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methylbenzamide?
The IUPAC name of 3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methylbenzamide (CID 11848889) is 3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methylbenzamide.
What is the SMILES notation for 3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methylbenzamide?
The canonical SMILES for 3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methylbenzamide is Cc1ccc(C(N)=O)cc1-c1ccc2c(-c3ccc(F)cc3C)nncc2c1.
What is the InChIKey of 3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methylbenzamide?
The InChIKey is VNAQZUHTNDXCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O/c1-13-3-4-16(23(25)28)11-21(13)15-5-7-20-17(10-15)12-26-27-22(20)19-8-6-18(24)9-14(19)2/h3-12H,1-2H3,(H2,25,28).
What are the key properties of 3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methylbenzamide?
3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methylbenzamide has a molecular weight of 371.42 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methylbenzamide is sourced from PubChem (CID 11848889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).