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

C16H15N3O4 — CID 135673739

IUPAC4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
SMILESCCc1ccc(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H15N3O4/c1-2-11-3-6-13(7-4-11)16(21)18-17-10-12-5-8-15(20)14(9-12)19(22)23/h3-10,20H,2H2,1H3,(H,18,21)/b17-10+
InChIKeyRFZVGJVSTQZSBU-LICLKQGHSA-N
MW313.31 g/mol
LogP2.63
Rot. Bonds5

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

4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide (PubChem CID 135673739) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
PubChem CID135673739
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
SMILESCCc1ccc(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H15N3O4/c1-2-11-3-6-13(7-4-11)16(21)18-17-10-12-5-8-15(20)14(9-12)19(22)23/h3-10,20H,2H2,1H3,(H,18,21)/b17-10+
InChIKeyRFZVGJVSTQZSBU-LICLKQGHSA-N
XLogP2.63
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136700737
N-(4-ethylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813977
4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136789360
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 135577282
3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135579599
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 136712209
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673769
2-ethyl-N,N'-bis[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
CID 136803489
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 5172323
N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 3117013
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 136712161

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide (CID 135673739) is 4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide is CCc1ccc(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is RFZVGJVSTQZSBU-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-2-11-3-6-13(7-4-11)16(21)18-17-10-12-5-8-15(20)14(9-12)19(22)23/h3-10,20H,2H2,1H3,(H,18,21)/b17-10+.
What are the key properties of 4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 313.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 135673739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).