N-(8-methylphthalazin-1-yl)-2-phenylacetamide

C17H15N3O — CID 86346009

IUPACN-(8-methylphthalazin-1-yl)-2-phenylacetamide
SMILESCc1cccc2cnnc(NC(=O)Cc3ccccc3)c12
InChIInChI=1S/C17H15N3O/c1-12-6-5-9-14-11-18-20-17(16(12)14)19-15(21)10-13-7-3-2-4-8-13/h2-9,11H,10H2,1H3,(H,19,20,21)
InChIKeyNQCXAJNXOSWDHV-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.12
Rot. Bonds3

About N-(8-methylphthalazin-1-yl)-2-phenylacetamide

N-(8-methylphthalazin-1-yl)-2-phenylacetamide (PubChem CID 86346009) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(8-methylphthalazin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(8-methylphthalazin-1-yl)-2-phenylacetamide
PubChem CID86346009
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-(8-methylphthalazin-1-yl)-2-phenylacetamide
SMILESCc1cccc2cnnc(NC(=O)Cc3ccccc3)c12
InChIInChI=1S/C17H15N3O/c1-12-6-5-9-14-11-18-20-17(16(12)14)19-15(21)10-13-7-3-2-4-8-13/h2-9,11H,10H2,1H3,(H,19,20,21)
InChIKeyNQCXAJNXOSWDHV-UHFFFAOYSA-N
XLogP3.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-methylphthalazin-1-yl)-2-phenylacetamide?
The IUPAC name of N-(8-methylphthalazin-1-yl)-2-phenylacetamide (CID 86346009) is N-(8-methylphthalazin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-(8-methylphthalazin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-(8-methylphthalazin-1-yl)-2-phenylacetamide is Cc1cccc2cnnc(NC(=O)Cc3ccccc3)c12.
What is the InChIKey of N-(8-methylphthalazin-1-yl)-2-phenylacetamide?
The InChIKey is NQCXAJNXOSWDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-6-5-9-14-11-18-20-17(16(12)14)19-15(21)10-13-7-3-2-4-8-13/h2-9,11H,10H2,1H3,(H,19,20,21).
What are the key properties of N-(8-methylphthalazin-1-yl)-2-phenylacetamide?
N-(8-methylphthalazin-1-yl)-2-phenylacetamide has a molecular weight of 277.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methylphthalazin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 86346009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).