N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide

C16H15N3O4 — CID 5418193

IUPACN-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
SMILESCCOc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15N3O4/c1-2-23-15-9-3-12(4-10-15)11-17-18-16(20)13-5-7-14(8-6-13)19(21)22/h3-11H,2H2,1H3,(H,18,20)/b17-11-
InChIKeyGRNHFARKJXUESE-BOPFTXTBSA-N
MW313.31 g/mol
LogP2.76
Rot. Bonds6

About N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 5418193) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
PubChem CID5418193
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
SMILESCCOc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15N3O4/c1-2-23-15-9-3-12(4-10-15)11-17-18-16(20)13-5-7-14(8-6-13)19(21)22/h3-11H,2H2,1H3,(H,18,20)/b17-11-
InChIKeyGRNHFARKJXUESE-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

1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6187350
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6009398
N-[(4-ethoxyphenyl)methylideneamino]-3-methyl-4-nitrobenzamide
CID 3566459
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)-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 124537180
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506655

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide (CID 5418193) is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide is CCOc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is GRNHFARKJXUESE-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-2-23-15-9-3-12(4-10-15)11-17-18-16(20)13-5-7-14(8-6-13)19(21)22/h3-11H,2H2,1H3,(H,18,20)/b17-11-.
What are the key properties of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide?
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide 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 N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 5418193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).