4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide

C17H17N3O4 — CID 3516509

IUPAC4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
SMILESCCOc1ccc(C(=O)NN=C(C)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H17N3O4/c1-3-24-16-10-6-14(7-11-16)17(21)19-18-12(2)13-4-8-15(9-5-13)20(22)23/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyIOWQFAKVVUXIIL-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.15
Rot. Bonds6

About 4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide

4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide (PubChem CID 3516509) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
PubChem CID3516509
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
SMILESCCOc1ccc(C(=O)NN=C(C)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H17N3O4/c1-3-24-16-10-6-14(7-11-16)17(21)19-18-12(2)13-4-8-15(9-5-13)20(22)23/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyIOWQFAKVVUXIIL-UHFFFAOYSA-N
XLogP3.15
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.15
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-[1-(4-nitrophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925773
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 6067598
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 3480695
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
4-ethoxy-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]benzamide
CID 9214784
N-[1-(4-ethoxyphenyl)ethylideneamino]-2-nitrobenzamide
CID 840527
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
The IUPAC name of 4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide (CID 3516509) is 4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide is CCOc1ccc(C(=O)NN=C(C)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
The InChIKey is IOWQFAKVVUXIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-3-24-16-10-6-14(7-11-16)17(21)19-18-12(2)13-4-8-15(9-5-13)20(22)23/h4-11H,3H2,1-2H3,(H,19,21).
What are the key properties of 4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide has a molecular weight of 327.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 3516509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).