3-benzyl-4-oxophthalazine-1-carboxamide

C16H13N3O2 — CID 2437237

IUPAC3-benzyl-4-oxophthalazine-1-carboxamide
SMILESNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C16H13N3O2/c17-15(20)14-12-8-4-5-9-13(12)16(21)19(18-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,20)
InChIKeyCNLKBXSFYXUQQH-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.54
Rot. Bonds3

About 3-benzyl-4-oxophthalazine-1-carboxamide

3-benzyl-4-oxophthalazine-1-carboxamide (PubChem CID 2437237) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-benzyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-4-oxophthalazine-1-carboxamide
PubChem CID2437237
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-benzyl-4-oxophthalazine-1-carboxamide
SMILESNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C16H13N3O2/c17-15(20)14-12-8-4-5-9-13(12)16(21)19(18-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,20)
InChIKeyCNLKBXSFYXUQQH-UHFFFAOYSA-N
XLogP1.54
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-benzyl-4-oxophthalazine-1-carboxamide (CID 2437237) is 3-benzyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-benzyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-benzyl-4-oxophthalazine-1-carboxamide is NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 3-benzyl-4-oxophthalazine-1-carboxamide?
The InChIKey is CNLKBXSFYXUQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-15(20)14-12-8-4-5-9-13(12)16(21)19(18-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,20).
What are the key properties of 3-benzyl-4-oxophthalazine-1-carboxamide?
3-benzyl-4-oxophthalazine-1-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 2437237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).