4-(3-ethoxy-4-nitrophenoxy)benzamide

C15H14N2O5 — CID 133425253

IUPAC4-(3-ethoxy-4-nitrophenoxy)benzamide
SMILESCCOc1cc(Oc2ccc(C(N)=O)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O5/c1-2-21-14-9-12(7-8-13(14)17(19)20)22-11-5-3-10(4-6-11)15(16)18/h3-9H,2H2,1H3,(H2,16,18)
InChIKeyVARRQADRIYIAMO-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.88
Rot. Bonds6

About 4-(3-ethoxy-4-nitrophenoxy)benzamide

4-(3-ethoxy-4-nitrophenoxy)benzamide (PubChem CID 133425253) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 4-(3-ethoxy-4-nitrophenoxy)benzamide.

Molecular Properties

Compound Name4-(3-ethoxy-4-nitrophenoxy)benzamide
PubChem CID133425253
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name4-(3-ethoxy-4-nitrophenoxy)benzamide
SMILESCCOc1cc(Oc2ccc(C(N)=O)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O5/c1-2-21-14-9-12(7-8-13(14)17(19)20)22-11-5-3-10(4-6-11)15(16)18/h3-9H,2H2,1H3,(H2,16,18)
InChIKeyVARRQADRIYIAMO-UHFFFAOYSA-N
XLogP2.88
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-(methylamino)phenoxy]-4-nitrobenzamide
CID 82992355
4-(3-amino-5-ethoxyphenoxy)benzamide
CID 80748930
ethyl 2-[5-(3-aminophenoxy)-2-nitrophenoxy]acetate
CID 23393974
3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine
CID 133424666
4-(4-bromo-2-methylphenoxy)-2-ethoxy-1-nitrobenzene
CID 63670402
(3-ethoxy-4-nitrophenyl)hydrazine
CID 63670732
1-(4-ethoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 31885400
4-(4-chloro-2-nitrophenoxy)benzamide
CID 9108833
4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine
CID 63675702
3-ethyl-4-nitrobenzamide
CID 67525718
3-(4-nitro-3-propoxyphenoxy)phenol
CID 63670518
4-(4-carbamoylphenoxy)benzamide
CID 156597124

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-4-nitrophenoxy)benzamide?
The IUPAC name of 4-(3-ethoxy-4-nitrophenoxy)benzamide (CID 133425253) is 4-(3-ethoxy-4-nitrophenoxy)benzamide.
What is the SMILES notation for 4-(3-ethoxy-4-nitrophenoxy)benzamide?
The canonical SMILES for 4-(3-ethoxy-4-nitrophenoxy)benzamide is CCOc1cc(Oc2ccc(C(N)=O)cc2)ccc1[N+](=O)[O-].
What is the InChIKey of 4-(3-ethoxy-4-nitrophenoxy)benzamide?
The InChIKey is VARRQADRIYIAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-2-21-14-9-12(7-8-13(14)17(19)20)22-11-5-3-10(4-6-11)15(16)18/h3-9H,2H2,1H3,(H2,16,18).
What are the key properties of 4-(3-ethoxy-4-nitrophenoxy)benzamide?
4-(3-ethoxy-4-nitrophenoxy)benzamide has a molecular weight of 302.29 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-4-nitrophenoxy)benzamide is sourced from PubChem (CID 133425253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).