N-benzhydryl-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C23H19N3O2 — CID 2713431

IUPACN-benzhydryl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N3O2/c27-21(15-20-18-13-7-8-14-19(18)23(28)26-25-20)24-22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,22H,15H2,(H,24,27)(H,26,28)
InChIKeyVGCHIIAMFJZNCY-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.37
Rot. Bonds5

About N-benzhydryl-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-benzhydryl-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 2713431) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-benzhydryl-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID2713431
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-benzhydryl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N3O2/c27-21(15-20-18-13-7-8-14-19(18)23(28)26-25-20)24-22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,22H,15H2,(H,24,27)(H,26,28)
InChIKeyVGCHIIAMFJZNCY-UHFFFAOYSA-N
XLogP3.37
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-benzhydryl-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 2713431) is N-benzhydryl-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-benzhydryl-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-benzhydryl-2-(4-oxo-3H-phthalazin-1-yl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is VGCHIIAMFJZNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-21(15-20-18-13-7-8-14-19(18)23(28)26-25-20)24-22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,22H,15H2,(H,24,27)(H,26,28).
What are the key properties of N-benzhydryl-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-benzhydryl-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 369.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 2713431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).