N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide

C14H12N2O5 — CID 107681256

IUPACN-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O5/c17-12-8-4-7-11(16(19)20)14(12)15-13(18)9-21-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,15,18)
InChIKeyQECZJJYXFKFDMN-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.32
Rot. Bonds5

About N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide

N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide (PubChem CID 107681256) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide
PubChem CID107681256
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC NameN-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O5/c17-12-8-4-7-11(16(19)20)14(12)15-13(18)9-21-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,15,18)
InChIKeyQECZJJYXFKFDMN-UHFFFAOYSA-N
XLogP2.32
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide
CID 107681464
N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide
CID 107681392
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
CID 107679551
2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide
CID 107681048
N-(2-hydroxynaphthalen-1-yl)-2-(2-nitrophenoxy)acetamide
CID 8797293
N-(2-hydroxy-6-nitrophenyl)but-3-enamide
CID 107681224
2-(3-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2788510
2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide
CID 4531468
2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide
CID 4789874
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130922

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide?
The IUPAC name of N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide (CID 107681256) is N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide?
The canonical SMILES for N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1c(O)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide?
The InChIKey is QECZJJYXFKFDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c17-12-8-4-7-11(16(19)20)14(12)15-13(18)9-21-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,15,18).
What are the key properties of N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide?
N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide has a molecular weight of 288.26 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide is sourced from PubChem (CID 107681256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).