4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide

C16H15N3O5 — CID 136700737

IUPAC4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H15N3O5/c1-2-24-13-6-4-12(5-7-13)16(21)18-17-10-11-3-8-15(20)14(9-11)19(22)23/h3-10,20H,2H2,1H3,(H,18,21)
InChIKeyZKLBFLFHTGGBAY-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.46
Rot. Bonds6

About 4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide

4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide (PubChem CID 136700737) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
PubChem CID136700737
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H15N3O5/c1-2-24-13-6-4-12(5-7-13)16(21)18-17-10-11-3-8-15(20)14(9-11)19(22)23/h3-10,20H,2H2,1H3,(H,18,21)
InChIKeyZKLBFLFHTGGBAY-UHFFFAOYSA-N
XLogP2.46
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

4-ethoxy-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]benzamide
CID 9214766
2-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 137151796
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 135577282
4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135673739
N-(4-ethoxyphenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
CID 4684439
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 136671572
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6009398
N-[(4-ethoxyphenyl)methylideneamino]-3-methyl-4-nitrobenzamide
CID 3566459
4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136789360
4-ethoxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135716598
4-ethoxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137122802

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide (CID 136700737) is 4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide is CCOc1ccc(C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is ZKLBFLFHTGGBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-2-24-13-6-4-12(5-7-13)16(21)18-17-10-11-3-8-15(20)14(9-11)19(22)23/h3-10,20H,2H2,1H3,(H,18,21).
What are the key properties of 4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 329.31 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 136700737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).