N'-(2,4-dioxo-4-phenylbutanoyl)benzohydrazide

C17H14N2O4 — CID 4049162

IUPACN'-(2,4-dioxo-4-phenylbutanoyl)benzohydrazide
SMILESO=C(CC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C17H14N2O4/c20-14(12-7-3-1-4-8-12)11-15(21)17(23)19-18-16(22)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,22)(H,19,23)
InChIKeyLOGXAOIYYZTFSP-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.29
Rot. Bonds5

About N'-(2,4-dioxo-4-phenylbutanoyl)benzohydrazide

N'-(2,4-dioxo-4-phenylbutanoyl)benzohydrazide (PubChem CID 4049162) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N'-(2,4-dioxo-4-phenylbutanoyl)benzohydrazide.

Molecular Properties

Compound NameN'-(2,4-dioxo-4-phenylbutanoyl)benzohydrazide
PubChem CID4049162
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN'-(2,4-dioxo-4-phenylbutanoyl)benzohydrazide
SMILESO=C(CC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C17H14N2O4/c20-14(12-7-3-1-4-8-12)11-15(21)17(23)19-18-16(22)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,22)(H,19,23)
InChIKeyLOGXAOIYYZTFSP-UHFFFAOYSA-N
XLogP1.29
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-oxo-2-phenylacetyl)benzohydrazide
CID 12792453
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
tetrakis(2,4-dioxo-4-phenylbutanoic acid);zirconium(4+)
CID 175883253
cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate)
CID 175080767
chromium(3+);2,4-dioxo-4-phenylbutanoate
CID 172832057
N'-oxidobenzohydrazide
CID 174971627
benzamidothiourea
CID 781748
2,4-dioxo-4-phenyl-N-prop-2-enylbutanamide
CID 24834538
chromium(2+);tris(3-oxo-3-phenylpropanoate)
CID 20833080
silver 3-oxo-3-phenylpropanoate
CID 86633512
4-methyl-1-phenylpent-4-ene-1,3-dione
CID 15683513

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dioxo-4-phenylbutanoyl)benzohydrazide?
The IUPAC name of N'-(2,4-dioxo-4-phenylbutanoyl)benzohydrazide (CID 4049162) is N'-(2,4-dioxo-4-phenylbutanoyl)benzohydrazide.
What is the SMILES notation for N'-(2,4-dioxo-4-phenylbutanoyl)benzohydrazide?
The canonical SMILES for N'-(2,4-dioxo-4-phenylbutanoyl)benzohydrazide is O=C(CC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-(2,4-dioxo-4-phenylbutanoyl)benzohydrazide?
The InChIKey is LOGXAOIYYZTFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-14(12-7-3-1-4-8-12)11-15(21)17(23)19-18-16(22)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,22)(H,19,23).
What are the key properties of N'-(2,4-dioxo-4-phenylbutanoyl)benzohydrazide?
N'-(2,4-dioxo-4-phenylbutanoyl)benzohydrazide has a molecular weight of 310.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dioxo-4-phenylbutanoyl)benzohydrazide is sourced from PubChem (CID 4049162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).