2-benzyl-N-hydroxy-3-methyl-1,4-dihydrophthalazine-6-carboxamide

C17H19N3O2 — CID 155598311

IUPAC2-benzyl-N-hydroxy-3-methyl-1,4-dihydrophthalazine-6-carboxamide
SMILESCN1Cc2cc(C(=O)NO)ccc2CN1Cc1ccccc1
InChIInChI=1S/C17H19N3O2/c1-19-11-16-9-14(17(21)18-22)7-8-15(16)12-20(19)10-13-5-3-2-4-6-13/h2-9,22H,10-12H2,1H3,(H,18,21)
InChIKeyOINMEFINVKAQLB-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.17
Rot. Bonds3

About 2-benzyl-N-hydroxy-3-methyl-1,4-dihydrophthalazine-6-carboxamide

2-benzyl-N-hydroxy-3-methyl-1,4-dihydrophthalazine-6-carboxamide (PubChem CID 155598311) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-benzyl-N-hydroxy-3-methyl-1,4-dihydrophthalazine-6-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-hydroxy-3-methyl-1,4-dihydrophthalazine-6-carboxamide
PubChem CID155598311
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-benzyl-N-hydroxy-3-methyl-1,4-dihydrophthalazine-6-carboxamide
SMILESCN1Cc2cc(C(=O)NO)ccc2CN1Cc1ccccc1
InChIInChI=1S/C17H19N3O2/c1-19-11-16-9-14(17(21)18-22)7-8-15(16)12-20(19)10-13-5-3-2-4-6-13/h2-9,22H,10-12H2,1H3,(H,18,21)
InChIKeyOINMEFINVKAQLB-UHFFFAOYSA-N
XLogP2.17
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-hydroxy-3-methyl-1,4-dihydrophthalazine-6-carboxamide?
The IUPAC name of 2-benzyl-N-hydroxy-3-methyl-1,4-dihydrophthalazine-6-carboxamide (CID 155598311) is 2-benzyl-N-hydroxy-3-methyl-1,4-dihydrophthalazine-6-carboxamide.
What is the SMILES notation for 2-benzyl-N-hydroxy-3-methyl-1,4-dihydrophthalazine-6-carboxamide?
The canonical SMILES for 2-benzyl-N-hydroxy-3-methyl-1,4-dihydrophthalazine-6-carboxamide is CN1Cc2cc(C(=O)NO)ccc2CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-hydroxy-3-methyl-1,4-dihydrophthalazine-6-carboxamide?
The InChIKey is OINMEFINVKAQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-19-11-16-9-14(17(21)18-22)7-8-15(16)12-20(19)10-13-5-3-2-4-6-13/h2-9,22H,10-12H2,1H3,(H,18,21).
What are the key properties of 2-benzyl-N-hydroxy-3-methyl-1,4-dihydrophthalazine-6-carboxamide?
2-benzyl-N-hydroxy-3-methyl-1,4-dihydrophthalazine-6-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-hydroxy-3-methyl-1,4-dihydrophthalazine-6-carboxamide is sourced from PubChem (CID 155598311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).