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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Related Compounds

N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide
CID 2103773
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 39938891
N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163290
N-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 166185009
N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43429946
N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 60552718
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4855019
N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691732
[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 16519899
4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide
CID 60555807
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785197

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).