4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide

C16H15N3O4 — CID 5403359

IUPAC4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O4/c1-2-23-14-9-7-12(8-10-14)16(20)18-17-11-13-5-3-4-6-15(13)19(21)22/h3-11H,2H2,1H3,(H,18,20)/b17-11-
InChIKeyQSRNHJSEZACQMU-BOPFTXTBSA-N
MW313.31 g/mol
LogP2.76
Rot. Bonds6

About 4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide

4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide (PubChem CID 5403359) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
PubChem CID5403359
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O4/c1-2-23-14-9-7-12(8-10-14)16(20)18-17-11-13-5-3-4-6-15(13)19(21)22/h3-11H,2H2,1H3,(H,18,20)/b17-11-
InChIKeyQSRNHJSEZACQMU-BOPFTXTBSA-N
XLogP2.76
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

N-[(2-nitrophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925685
N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 676026
2-(2-ethoxyphenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6044087
4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136700737
4-ethoxy-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]benzamide
CID 9214766
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6872935
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 42991420
4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6274766
N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide
CID 6737093
4-ethoxy-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135702023
3,4,5-trimethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5435097

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide (CID 5403359) is 4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide is CCOc1ccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide?
The InChIKey is QSRNHJSEZACQMU-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-2-23-14-9-7-12(8-10-14)16(20)18-17-11-13-5-3-4-6-15(13)19(21)22/h3-11H,2H2,1H3,(H,18,20)/b17-11-.
What are the key properties of 4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide?
4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide has a molecular weight of 313.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 5403359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).