N-(2-hydroxy-5-nitrophenyl)butanamide

C10H12N2O4 — CID 3599768

IUPACN-(2-hydroxy-5-nitrophenyl)butanamide
SMILESCCCC(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H12N2O4/c1-2-3-10(14)11-8-6-7(12(15)16)4-5-9(8)13/h4-6,13H,2-3H2,1H3,(H,11,14)
InChIKeyZENYDWLVVQXHOW-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.04
Rot. Bonds4

About N-(2-hydroxy-5-nitrophenyl)butanamide

N-(2-hydroxy-5-nitrophenyl)butanamide (PubChem CID 3599768) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)butanamide
PubChem CID3599768
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC NameN-(2-hydroxy-5-nitrophenyl)butanamide
SMILESCCCC(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H12N2O4/c1-2-3-10(14)11-8-6-7(12(15)16)4-5-9(8)13/h4-6,13H,2-3H2,1H3,(H,11,14)
InChIKeyZENYDWLVVQXHOW-UHFFFAOYSA-N
XLogP2.04
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.04
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-5-nitrophenyl)butanamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)butanamide (CID 3599768) is N-(2-hydroxy-5-nitrophenyl)butanamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)butanamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)butanamide is CCCC(=O)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)butanamide?
The InChIKey is ZENYDWLVVQXHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-2-3-10(14)11-8-6-7(12(15)16)4-5-9(8)13/h4-6,13H,2-3H2,1H3,(H,11,14).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)butanamide?
N-(2-hydroxy-5-nitrophenyl)butanamide has a molecular weight of 224.22 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)butanamide is sourced from PubChem (CID 3599768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).