4-(4-acetylphenoxy)-3-nitrobenzamide

C15H12N2O5 — CID 4851739

IUPAC4-(4-acetylphenoxy)-3-nitrobenzamide
SMILESCC(=O)c1ccc(Oc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H12N2O5/c1-9(18)10-2-5-12(6-3-10)22-14-7-4-11(15(16)19)8-13(14)17(20)21/h2-8H,1H3,(H2,16,19)
InChIKeyGKTJBMAYDSRIGP-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.69
Rot. Bonds5

About 4-(4-acetylphenoxy)-3-nitrobenzamide

4-(4-acetylphenoxy)-3-nitrobenzamide (PubChem CID 4851739) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-3-nitrobenzamide
PubChem CID4851739
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name4-(4-acetylphenoxy)-3-nitrobenzamide
SMILESCC(=O)c1ccc(Oc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H12N2O5/c1-9(18)10-2-5-12(6-3-10)22-14-7-4-11(15(16)19)8-13(14)17(20)21/h2-8H,1H3,(H2,16,19)
InChIKeyGKTJBMAYDSRIGP-UHFFFAOYSA-N
XLogP2.69
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-3-nitrobenzamide?
The IUPAC name of 4-(4-acetylphenoxy)-3-nitrobenzamide (CID 4851739) is 4-(4-acetylphenoxy)-3-nitrobenzamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-3-nitrobenzamide?
The canonical SMILES for 4-(4-acetylphenoxy)-3-nitrobenzamide is CC(=O)c1ccc(Oc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-3-nitrobenzamide?
The InChIKey is GKTJBMAYDSRIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c1-9(18)10-2-5-12(6-3-10)22-14-7-4-11(15(16)19)8-13(14)17(20)21/h2-8H,1H3,(H2,16,19).
What are the key properties of 4-(4-acetylphenoxy)-3-nitrobenzamide?
4-(4-acetylphenoxy)-3-nitrobenzamide has a molecular weight of 300.27 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-3-nitrobenzamide is sourced from PubChem (CID 4851739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).