2-(4-acetyl-2-nitrophenoxy)benzamide

C15H12N2O5 — CID 9251324

IUPAC2-(4-acetyl-2-nitrophenoxy)benzamide
SMILESCC(=O)c1ccc(Oc2ccccc2C(N)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12N2O5/c1-9(18)10-6-7-14(12(8-10)17(20)21)22-13-5-3-2-4-11(13)15(16)19/h2-8H,1H3,(H2,16,19)
InChIKeyGXJOAKADKHCIIN-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.69
Rot. Bonds5

About 2-(4-acetyl-2-nitrophenoxy)benzamide

2-(4-acetyl-2-nitrophenoxy)benzamide (PubChem CID 9251324) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-(4-acetyl-2-nitrophenoxy)benzamide.

Molecular Properties

Compound Name2-(4-acetyl-2-nitrophenoxy)benzamide
PubChem CID9251324
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name2-(4-acetyl-2-nitrophenoxy)benzamide
SMILESCC(=O)c1ccc(Oc2ccccc2C(N)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12N2O5/c1-9(18)10-6-7-14(12(8-10)17(20)21)22-13-5-3-2-4-11(13)15(16)19/h2-8H,1H3,(H2,16,19)
InChIKeyGXJOAKADKHCIIN-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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Related Compounds

1-[3-nitro-4-(2-nitrophenoxy)phenyl]ethanone
CID 9279079
1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone
CID 9212979
1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone
CID 9282374
2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
CID 8565508
1-[4-(4-acetyl-2-methoxyphenoxy)-3-nitrophenyl]ethanone
CID 9112488
4-(4-acetyl-2-nitrophenoxy)-3-nitrobenzenesulfonamide
CID 33381315
1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 62368694
1-[4-(4-methylphenoxy)-3-nitrophenyl]ethanone
CID 9213139
2-(4-methyl-2-nitrophenoxy)benzoic acid
CID 61311075
1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanone
CID 9112145
2-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenoxy]benzamide
CID 9251415
2-(2-chloro-4-nitrophenoxy)benzamide
CID 9251332

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-nitrophenoxy)benzamide?
The IUPAC name of 2-(4-acetyl-2-nitrophenoxy)benzamide (CID 9251324) is 2-(4-acetyl-2-nitrophenoxy)benzamide.
What is the SMILES notation for 2-(4-acetyl-2-nitrophenoxy)benzamide?
The canonical SMILES for 2-(4-acetyl-2-nitrophenoxy)benzamide is CC(=O)c1ccc(Oc2ccccc2C(N)=O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-acetyl-2-nitrophenoxy)benzamide?
The InChIKey is GXJOAKADKHCIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c1-9(18)10-6-7-14(12(8-10)17(20)21)22-13-5-3-2-4-11(13)15(16)19/h2-8H,1H3,(H2,16,19).
What are the key properties of 2-(4-acetyl-2-nitrophenoxy)benzamide?
2-(4-acetyl-2-nitrophenoxy)benzamide 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 2-(4-acetyl-2-nitrophenoxy)benzamide is sourced from PubChem (CID 9251324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).