N-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide

C27H19N3O2 — CID 2902544

IUPACN-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide
SMILESO=C(Nc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C27H19N3O2/c31-26(20-11-5-2-6-12-20)28-21-15-17-22(18-16-21)32-27-24-14-8-7-13-23(24)25(29-30-27)19-9-3-1-4-10-19/h1-18H,(H,28,31)
InChIKeyLQBLURFKFLDAFV-UHFFFAOYSA-N
MW417.47 g/mol
LogP6.34
Rot. Bonds5

About N-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide

N-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide (PubChem CID 2902544) has the molecular formula C27H19N3O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide
PubChem CID2902544
Molecular FormulaC27H19N3O2
Molecular Weight417.47 g/mol
Exact Mass417.15
IUPAC NameN-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide
SMILESO=C(Nc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C27H19N3O2/c31-26(20-11-5-2-6-12-20)28-21-15-17-22(18-16-21)32-27-24-14-8-7-13-23(24)25(29-30-27)19-9-3-1-4-10-19/h1-18H,(H,28,31)
InChIKeyLQBLURFKFLDAFV-UHFFFAOYSA-N
XLogP6.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide?
The IUPAC name of N-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide (CID 2902544) is N-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide.
What is the SMILES notation for N-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide?
The canonical SMILES for N-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide is O=C(Nc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1)c1ccccc1.
What is the InChIKey of N-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide?
The InChIKey is LQBLURFKFLDAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O2/c31-26(20-11-5-2-6-12-20)28-21-15-17-22(18-16-21)32-27-24-14-8-7-13-23(24)25(29-30-27)19-9-3-1-4-10-19/h1-18H,(H,28,31).
What are the key properties of N-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide?
N-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide has a molecular weight of 417.47 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide is sourced from PubChem (CID 2902544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).