2-(4-formamidophenyl)ethaneperoxoic acid

C9H9NO4 — CID 58762024

IUPAC2-(4-formamidophenyl)ethaneperoxoic acid
SMILESO=CNc1ccc(CC(=O)OO)cc1
InChIInChI=1S/C9H9NO4/c11-6-10-8-3-1-7(2-4-8)5-9(12)14-13/h1-4,6,13H,5H2,(H,10,11)
InChIKeyLADOZLYDKHEKEU-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.81
Rot. Bonds4

About 2-(4-formamidophenyl)ethaneperoxoic acid

2-(4-formamidophenyl)ethaneperoxoic acid (PubChem CID 58762024) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-(4-formamidophenyl)ethaneperoxoic acid.

Molecular Properties

Compound Name2-(4-formamidophenyl)ethaneperoxoic acid
PubChem CID58762024
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2-(4-formamidophenyl)ethaneperoxoic acid
SMILESO=CNc1ccc(CC(=O)OO)cc1
InChIInChI=1S/C9H9NO4/c11-6-10-8-3-1-7(2-4-8)5-9(12)14-13/h1-4,6,13H,5H2,(H,10,11)
InChIKeyLADOZLYDKHEKEU-UHFFFAOYSA-N
XLogP0.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,3-dioxopropyl)phenyl]formamide
CID 86346333
2-(4-aminophenyl)ethaneperoxoic acid
CID 19931513
N-[4-(butan-2-yloxymethyl)phenyl]formamide
CID 123995408
methyl 2-[4-(cyanomethylamino)phenyl]acetate
CID 121256144
N-[4-(propoxymethyl)phenyl]formamide
CID 155742417
benzyl 4-formamidobenzoate
CID 100979442
2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate
CID 54414116
methyl 2-[4-(prop-2-enoylamino)phenyl]acetate
CID 14209754
N-(4-formylphenyl)formamide
CID 15314216
1-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)hexyl 2-(4-formamidophenyl)acetate
CID 142627049
4-ethyl-N-[1-(4-formamidophenyl)ethenyl]benzamide
CID 143052531
methyl 2-[4-(4-methoxyanilino)phenyl]acetate
CID 82535736

Frequently Asked Questions

What is the IUPAC name of 2-(4-formamidophenyl)ethaneperoxoic acid?
The IUPAC name of 2-(4-formamidophenyl)ethaneperoxoic acid (CID 58762024) is 2-(4-formamidophenyl)ethaneperoxoic acid.
What is the SMILES notation for 2-(4-formamidophenyl)ethaneperoxoic acid?
The canonical SMILES for 2-(4-formamidophenyl)ethaneperoxoic acid is O=CNc1ccc(CC(=O)OO)cc1.
What is the InChIKey of 2-(4-formamidophenyl)ethaneperoxoic acid?
The InChIKey is LADOZLYDKHEKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c11-6-10-8-3-1-7(2-4-8)5-9(12)14-13/h1-4,6,13H,5H2,(H,10,11).
What are the key properties of 2-(4-formamidophenyl)ethaneperoxoic acid?
2-(4-formamidophenyl)ethaneperoxoic acid has a molecular weight of 195.17 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formamidophenyl)ethaneperoxoic acid is sourced from PubChem (CID 58762024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).