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

C16H15N3O4 — CID 5332371

IUPAC4-ethoxy-N-[(E)-(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-GZTJUZNOSA-N
MW313.31 g/mol
LogP2.76
Rot. Bonds6

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

4-ethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide (PubChem CID 5332371) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-ethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
PubChem CID5332371
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name4-ethoxy-N-[(E)-(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-GZTJUZNOSA-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

Nifuroxazide
CID 5337997
Benzoic acid, 4-hydroxy-, [(5-nitro-2-furanyl)methylene]hydrazide
CID 13764
(Z)-N'-(1-(4-nitrophenyl)ethylidene)-2,3-dihydrobenzo[b][1,4]dioxine-6-carbohydrazide
CID 5400900
N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 6883246
N'-[(E)-(5-nitrofuran-2-yl)methylidene]-3-(4-propoxyphenyl)propanehydrazide
CID 9663344
N'-[(E)-furan-3-ylmethylidene]-2-methyl-3-nitrobenzohydrazide
CID 25237172
[2-methoxy-5-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 6872491
3-nitro-N'-{3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}benzohydrazide
CID 6872816
N'-{5-chloro-2-nitrobenzylidene}-4-ethoxybenzohydrazide
CID 9648782
N'-[(5-methyl-2-furyl)methylene]-3-nitrobenzohydrazide
CID 6871954
Nifuroxazide EP Impurity E
CID 5390108
Benzoic acid, 3-nitro-, (2-furanylmethylene)hydrazide
CID 6870802

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-ethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide (CID 5332371) is 4-ethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide is CCOc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-ethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide?
The InChIKey is QSRNHJSEZACQMU-GZTJUZNOSA-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-[(E)-(2-nitrophenyl)methylideneamino]benzamide?
4-ethoxy-N-[(E)-(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-[(E)-(2-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 5332371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).