N-(3-amino-2-hydroxy-5-nitrophenyl)acetamide

C8H9N3O4 — CID 5483351

IUPACN-(3-amino-2-hydroxy-5-nitrophenyl)acetamide
SMILESCC(=O)Nc1cc([N+](=O)[O-])cc(N)c1O
InChIInChI=1S/C8H9N3O4/c1-4(12)10-7-3-5(11(14)15)2-6(9)8(7)13/h2-3,13H,9H2,1H3,(H,10,12)
InChIKeyJBYMSNCIQHSWOD-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.84
Rot. Bonds2

About N-(3-amino-2-hydroxy-5-nitrophenyl)acetamide

N-(3-amino-2-hydroxy-5-nitrophenyl)acetamide (PubChem CID 5483351) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-5-nitrophenyl)acetamide
PubChem CID5483351
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC NameN-(3-amino-2-hydroxy-5-nitrophenyl)acetamide
SMILESCC(=O)Nc1cc([N+](=O)[O-])cc(N)c1O
InChIInChI=1S/C8H9N3O4/c1-4(12)10-7-3-5(11(14)15)2-6(9)8(7)13/h2-3,13H,9H2,1H3,(H,10,12)
InChIKeyJBYMSNCIQHSWOD-UHFFFAOYSA-N
XLogP0.84
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-(3-amino-2-hydroxy-5-nitrophenyl)acetamide?
The IUPAC name of N-(3-amino-2-hydroxy-5-nitrophenyl)acetamide (CID 5483351) is N-(3-amino-2-hydroxy-5-nitrophenyl)acetamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-5-nitrophenyl)acetamide?
The canonical SMILES for N-(3-amino-2-hydroxy-5-nitrophenyl)acetamide is CC(=O)Nc1cc([N+](=O)[O-])cc(N)c1O.
What is the InChIKey of N-(3-amino-2-hydroxy-5-nitrophenyl)acetamide?
The InChIKey is JBYMSNCIQHSWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-4(12)10-7-3-5(11(14)15)2-6(9)8(7)13/h2-3,13H,9H2,1H3,(H,10,12).
What are the key properties of N-(3-amino-2-hydroxy-5-nitrophenyl)acetamide?
N-(3-amino-2-hydroxy-5-nitrophenyl)acetamide has a molecular weight of 211.18 g/mol, XLogP of 0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 5483351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).