N-(2-hydroxy-3,5-dinitrophenyl)acetamide

C8H7N3O6 — CID 4192962

IUPACN-(2-hydroxy-3,5-dinitrophenyl)acetamide
SMILESCC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIInChI=1S/C8H7N3O6/c1-4(12)9-6-2-5(10(14)15)3-7(8(6)13)11(16)17/h2-3,13H,1H3,(H,9,12)
InChIKeyRMWYWQJCJOEMTR-UHFFFAOYSA-N
MW241.16 g/mol
LogP1.17
Rot. Bonds3

About N-(2-hydroxy-3,5-dinitrophenyl)acetamide

N-(2-hydroxy-3,5-dinitrophenyl)acetamide (PubChem CID 4192962) has the molecular formula C8H7N3O6 and a molecular weight of 241.16 g/mol. Its IUPAC name is N-(2-hydroxy-3,5-dinitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-3,5-dinitrophenyl)acetamide
PubChem CID4192962
Molecular FormulaC8H7N3O6
Molecular Weight241.16 g/mol
Exact Mass241.03
IUPAC NameN-(2-hydroxy-3,5-dinitrophenyl)acetamide
SMILESCC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIInChI=1S/C8H7N3O6/c1-4(12)9-6-2-5(10(14)15)3-7(8(6)13)11(16)17/h2-3,13H,1H3,(H,9,12)
InChIKeyRMWYWQJCJOEMTR-UHFFFAOYSA-N
XLogP1.17
TPSA135.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-3,5-dinitrophenyl)acetamide?
The IUPAC name of N-(2-hydroxy-3,5-dinitrophenyl)acetamide (CID 4192962) is N-(2-hydroxy-3,5-dinitrophenyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-3,5-dinitrophenyl)acetamide?
The canonical SMILES for N-(2-hydroxy-3,5-dinitrophenyl)acetamide is CC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.
What is the InChIKey of N-(2-hydroxy-3,5-dinitrophenyl)acetamide?
The InChIKey is RMWYWQJCJOEMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O6/c1-4(12)9-6-2-5(10(14)15)3-7(8(6)13)11(16)17/h2-3,13H,1H3,(H,9,12).
What are the key properties of N-(2-hydroxy-3,5-dinitrophenyl)acetamide?
N-(2-hydroxy-3,5-dinitrophenyl)acetamide has a molecular weight of 241.16 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3,5-dinitrophenyl)acetamide is sourced from PubChem (CID 4192962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).