N-(2-hydroxy-3-nitrophenyl)acetamide

C8H8N2O4 — CID 5373390

IUPACN-(2-hydroxy-3-nitrophenyl)acetamide
SMILESCC(=O)Nc1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C8H8N2O4/c1-5(11)9-6-3-2-4-7(8(6)12)10(13)14/h2-4,12H,1H3,(H,9,11)
InChIKeyXAIIJCIDXHCITA-UHFFFAOYSA-N
MW196.16 g/mol
LogP1.26
Rot. Bonds2

About N-(2-hydroxy-3-nitrophenyl)acetamide

N-(2-hydroxy-3-nitrophenyl)acetamide (PubChem CID 5373390) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is N-(2-hydroxy-3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-nitrophenyl)acetamide
PubChem CID5373390
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC NameN-(2-hydroxy-3-nitrophenyl)acetamide
SMILESCC(=O)Nc1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C8H8N2O4/c1-5(11)9-6-3-2-4-7(8(6)12)10(13)14/h2-4,12H,1H3,(H,9,11)
InChIKeyXAIIJCIDXHCITA-UHFFFAOYSA-N
XLogP1.26
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'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 N-(2-hydroxy-3-nitrophenyl)acetamide?
The IUPAC name of N-(2-hydroxy-3-nitrophenyl)acetamide (CID 5373390) is N-(2-hydroxy-3-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-3-nitrophenyl)acetamide?
The canonical SMILES for N-(2-hydroxy-3-nitrophenyl)acetamide is CC(=O)Nc1cccc([N+](=O)[O-])c1O.
What is the InChIKey of N-(2-hydroxy-3-nitrophenyl)acetamide?
The InChIKey is XAIIJCIDXHCITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-5(11)9-6-3-2-4-7(8(6)12)10(13)14/h2-4,12H,1H3,(H,9,11).
What are the key properties of N-(2-hydroxy-3-nitrophenyl)acetamide?
N-(2-hydroxy-3-nitrophenyl)acetamide has a molecular weight of 196.16 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-nitrophenyl)acetamide is sourced from PubChem (CID 5373390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).