N-[(Z)-3-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide

C23H19N3O4 — CID 2253201

IUPACN-[(Z)-3-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESO=C(NN=Cc1ccc(O)c(O)c1)/C(=C/c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C23H19N3O4/c27-20-12-11-17(14-21(20)28)15-24-26-23(30)19(13-16-7-3-1-4-8-16)25-22(29)18-9-5-2-6-10-18/h1-15,27-28H,(H,25,29)(H,26,30)/b19-13-,24-15?
InChIKeyHNKPAALWOLOTIT-ATSKESHSSA-N
MW401.42 g/mol
LogP3.02
Rot. Bonds6

About N-[(Z)-3-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide

N-[(Z)-3-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide (PubChem CID 2253201) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[(Z)-3-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
PubChem CID2253201
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-[(Z)-3-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESO=C(NN=Cc1ccc(O)c(O)c1)/C(=C/c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C23H19N3O4/c27-20-12-11-17(14-21(20)28)15-24-26-23(30)19(13-16-7-3-1-4-8-16)25-22(29)18-9-5-2-6-10-18/h1-15,27-28H,(H,25,29)(H,26,30)/b19-13-,24-15?
InChIKeyHNKPAALWOLOTIT-ATSKESHSSA-N
XLogP3.02
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide (CID 2253201) is N-[(Z)-3-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is O=C(NN=Cc1ccc(O)c(O)c1)/C(=C/c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-3-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The InChIKey is HNKPAALWOLOTIT-ATSKESHSSA-N. The full InChI is InChI=1S/C23H19N3O4/c27-20-12-11-17(14-21(20)28)15-24-26-23(30)19(13-16-7-3-1-4-8-16)25-22(29)18-9-5-2-6-10-18/h1-15,27-28H,(H,25,29)(H,26,30)/b19-13-,24-15?.
What are the key properties of N-[(Z)-3-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
N-[(Z)-3-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide has a molecular weight of 401.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 2253201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).