N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide

C17H15N3O2 — CID 756039

IUPACN-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C17H15N3O2/c1-2-11-7-9-12(10-8-11)18-17(22)15-13-5-3-4-6-14(13)16(21)20-19-15/h3-10H,2H2,1H3,(H,18,22)(H,20,21)
InChIKeyACWMJNRVNKFXFO-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.74
Rot. Bonds3

About N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide

N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 756039) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID756039
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C17H15N3O2/c1-2-11-7-9-12(10-8-11)18-17(22)15-13-5-3-4-6-14(13)16(21)20-19-15/h3-10H,2H2,1H3,(H,18,22)(H,20,21)
InChIKeyACWMJNRVNKFXFO-UHFFFAOYSA-N
XLogP2.74
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide (CID 756039) is N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide is CCc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is ACWMJNRVNKFXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-11-7-9-12(10-8-11)18-17(22)15-13-5-3-4-6-14(13)16(21)20-19-15/h3-10H,2H2,1H3,(H,18,22)(H,20,21).
What are the key properties of N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 756039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).