2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide

C16H14N4O6 — CID 3481888

IUPAC2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C16H14N4O6/c17-16(23)12-3-1-2-4-14(12)26-9-15(22)19-18-8-10-7-11(20(24)25)5-6-13(10)21/h1-8,21H,9H2,(H2,17,23)(H,19,22)
InChIKeySOPUDVZCMLNJIC-UHFFFAOYSA-N
MW358.31 g/mol
LogP0.93
Rot. Bonds7

About 2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide

2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide (PubChem CID 3481888) has the molecular formula C16H14N4O6 and a molecular weight of 358.31 g/mol. Its IUPAC name is 2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
PubChem CID3481888
Molecular FormulaC16H14N4O6
Molecular Weight358.31 g/mol
Exact Mass358.09
IUPAC Name2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C16H14N4O6/c17-16(23)12-3-1-2-4-14(12)26-9-15(22)19-18-8-10-7-11(20(24)25)5-6-13(10)21/h1-8,21H,9H2,(H2,17,23)(H,19,22)
InChIKeySOPUDVZCMLNJIC-UHFFFAOYSA-N
XLogP0.93
TPSA157.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 135716427
2-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 3482224
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 137173454
2-(2,4-dichlorophenoxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135827964
2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135606645
2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135560373
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 5008121
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135472388
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 136824462
2-(3-fluorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135557639
2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 4216136
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135752346

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide (CID 3481888) is 2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide?
The InChIKey is SOPUDVZCMLNJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O6/c17-16(23)12-3-1-2-4-14(12)26-9-15(22)19-18-8-10-7-11(20(24)25)5-6-13(10)21/h1-8,21H,9H2,(H2,17,23)(H,19,22).
What are the key properties of 2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide?
2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide has a molecular weight of 358.31 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 3481888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).