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

C23H18FN3O2 — CID 11848569

IUPAC3-[1-(4-fluoro-2-methoxyphenyl)phthalazin-6-yl]-4-methylbenzamide
SMILESCOc1cc(F)ccc1-c1nncc2cc(-c3cc(C(N)=O)ccc3C)ccc12
InChIInChI=1S/C23H18FN3O2/c1-13-3-4-15(23(25)28)10-20(13)14-5-7-18-16(9-14)12-26-27-22(18)19-8-6-17(24)11-21(19)29-2/h3-12H,1-2H3,(H2,25,28)
InChIKeyNASWEYJFZNKONN-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.52
Rot. Bonds4

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

3-[1-(4-fluoro-2-methoxyphenyl)phthalazin-6-yl]-4-methylbenzamide (PubChem CID 11848569) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 3-[1-(4-fluoro-2-methoxyphenyl)phthalazin-6-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-(4-fluoro-2-methoxyphenyl)phthalazin-6-yl]-4-methylbenzamide
PubChem CID11848569
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name3-[1-(4-fluoro-2-methoxyphenyl)phthalazin-6-yl]-4-methylbenzamide
SMILESCOc1cc(F)ccc1-c1nncc2cc(-c3cc(C(N)=O)ccc3C)ccc12
InChIInChI=1S/C23H18FN3O2/c1-13-3-4-15(23(25)28)10-20(13)14-5-7-18-16(9-14)12-26-27-22(18)19-8-6-17(24)11-21(19)29-2/h3-12H,1-2H3,(H2,25,28)
InChIKeyNASWEYJFZNKONN-UHFFFAOYSA-N
XLogP4.52
TPSA78.10 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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluoro-2-methoxyphenyl)phthalazin-6-yl]-4-methylbenzamide?
The IUPAC name of 3-[1-(4-fluoro-2-methoxyphenyl)phthalazin-6-yl]-4-methylbenzamide (CID 11848569) is 3-[1-(4-fluoro-2-methoxyphenyl)phthalazin-6-yl]-4-methylbenzamide.
What is the SMILES notation for 3-[1-(4-fluoro-2-methoxyphenyl)phthalazin-6-yl]-4-methylbenzamide?
The canonical SMILES for 3-[1-(4-fluoro-2-methoxyphenyl)phthalazin-6-yl]-4-methylbenzamide is COc1cc(F)ccc1-c1nncc2cc(-c3cc(C(N)=O)ccc3C)ccc12.
What is the InChIKey of 3-[1-(4-fluoro-2-methoxyphenyl)phthalazin-6-yl]-4-methylbenzamide?
The InChIKey is NASWEYJFZNKONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-13-3-4-15(23(25)28)10-20(13)14-5-7-18-16(9-14)12-26-27-22(18)19-8-6-17(24)11-21(19)29-2/h3-12H,1-2H3,(H2,25,28).
What are the key properties of 3-[1-(4-fluoro-2-methoxyphenyl)phthalazin-6-yl]-4-methylbenzamide?
3-[1-(4-fluoro-2-methoxyphenyl)phthalazin-6-yl]-4-methylbenzamide has a molecular weight of 387.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluoro-2-methoxyphenyl)phthalazin-6-yl]-4-methylbenzamide is sourced from PubChem (CID 11848569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).