N-[(E)-1-(2,4-dihydroxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide

C16H15N3O4 — CID 7137566

IUPACN-[(E)-1-(2,4-dihydroxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
SMILESNNC(=O)/C(=C\c1ccc(O)cc1O)NC(=O)c1ccccc1
InChIInChI=1S/C16H15N3O4/c17-19-16(23)13(8-11-6-7-12(20)9-14(11)21)18-15(22)10-4-2-1-3-5-10/h1-9,20-21H,17H2,(H,18,22)(H,19,23)/b13-8+
InChIKeyHLKOFUSDOVWZQP-MDWZMJQESA-N
MW313.31 g/mol
LogP0.86
Rot. Bonds4

About N-[(E)-1-(2,4-dihydroxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide

N-[(E)-1-(2,4-dihydroxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 7137566) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dihydroxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dihydroxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
PubChem CID7137566
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-[(E)-1-(2,4-dihydroxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
SMILESNNC(=O)/C(=C\c1ccc(O)cc1O)NC(=O)c1ccccc1
InChIInChI=1S/C16H15N3O4/c17-19-16(23)13(8-11-6-7-12(20)9-14(11)21)18-15(22)10-4-2-1-3-5-10/h1-9,20-21H,17H2,(H,18,22)(H,19,23)/b13-8+
InChIKeyHLKOFUSDOVWZQP-MDWZMJQESA-N
XLogP0.86
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
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CID 4914109
N-[(Z)-3-(4-benzylsulfanylanilino)-1-(4-hydroxy-2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
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N-[1-(2-hydroxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
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N-[(E)-3-(2-benzoylhydrazinyl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide (CID 7137566) is N-[(E)-1-(2,4-dihydroxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-1-(2,4-dihydroxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-1-(2,4-dihydroxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide is NNC(=O)/C(=C\c1ccc(O)cc1O)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-1-(2,4-dihydroxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is HLKOFUSDOVWZQP-MDWZMJQESA-N. The full InChI is InChI=1S/C16H15N3O4/c17-19-16(23)13(8-11-6-7-12(20)9-14(11)21)18-15(22)10-4-2-1-3-5-10/h1-9,20-21H,17H2,(H,18,22)(H,19,23)/b13-8+.
What are the key properties of N-[(E)-1-(2,4-dihydroxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide?
N-[(E)-1-(2,4-dihydroxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 313.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dihydroxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 7137566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).