2-methoxy-N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide

C29H23N3O3 — CID 6409422

IUPAC2-methoxy-N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C29H23N3O3/c1-19-11-13-20(14-12-19)27-23-7-3-4-8-24(23)29(32-31-27)35-22-17-15-21(16-18-22)30-28(33)25-9-5-6-10-26(25)34-2/h3-18H,1-2H3,(H,30,33)
InChIKeyWNAGYBFIBKZGNK-UHFFFAOYSA-N
MW461.52 g/mol
LogP6.66
Rot. Bonds6

About 2-methoxy-N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide

2-methoxy-N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide (PubChem CID 6409422) has the molecular formula C29H23N3O3 and a molecular weight of 461.52 g/mol. Its IUPAC name is 2-methoxy-N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide
PubChem CID6409422
Molecular FormulaC29H23N3O3
Molecular Weight461.52 g/mol
Exact Mass461.17
IUPAC Name2-methoxy-N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C29H23N3O3/c1-19-11-13-20(14-12-19)27-23-7-3-4-8-24(23)29(32-31-27)35-22-17-15-21(16-18-22)30-28(33)25-9-5-6-10-26(25)34-2/h3-18H,1-2H3,(H,30,33)
InChIKeyWNAGYBFIBKZGNK-UHFFFAOYSA-N
XLogP6.66
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide (CID 6409422) is 2-methoxy-N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1.
What is the InChIKey of 2-methoxy-N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide?
The InChIKey is WNAGYBFIBKZGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O3/c1-19-11-13-20(14-12-19)27-23-7-3-4-8-24(23)29(32-31-27)35-22-17-15-21(16-18-22)30-28(33)25-9-5-6-10-26(25)34-2/h3-18H,1-2H3,(H,30,33).
What are the key properties of 2-methoxy-N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide?
2-methoxy-N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide has a molecular weight of 461.52 g/mol, XLogP of 6.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide is sourced from PubChem (CID 6409422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).