N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide

C14H12FN3O4 — CID 8650969

IUPACN-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESO=C(COc1cccnc1[N+](=O)[O-])NCc1ccccc1F
InChIInChI=1S/C14H12FN3O4/c15-11-5-2-1-4-10(11)8-17-13(19)9-22-12-6-3-7-16-14(12)18(20)21/h1-7H,8-9H2,(H,17,19)
InChIKeyHQOBGSSKSHCXPJ-UHFFFAOYSA-N
MW305.27 g/mol
LogP1.82
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide

N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 8650969) has the molecular formula C14H12FN3O4 and a molecular weight of 305.27 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID8650969
Molecular FormulaC14H12FN3O4
Molecular Weight305.27 g/mol
Exact Mass305.08
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESO=C(COc1cccnc1[N+](=O)[O-])NCc1ccccc1F
InChIInChI=1S/C14H12FN3O4/c15-11-5-2-1-4-10(11)8-17-13(19)9-22-12-6-3-7-16-14(12)18(20)21/h1-7H,8-9H2,(H,17,19)
InChIKeyHQOBGSSKSHCXPJ-UHFFFAOYSA-N
XLogP1.82
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 43509914
N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3895625
2-(2-aminophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 16781117
N-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide
CID 8641124
2-(2-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 24536882
N-(4-fluoro-3-nitrophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4840036
N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3578333
2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
CID 18077327
N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648197
N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide
CID 8651047
1-(3,4-difluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone
CID 18077402
N-[(2-fluorophenyl)methyl]-2-quinolin-6-yloxyacetamide
CID 112978602

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide (CID 8650969) is N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide is O=C(COc1cccnc1[N+](=O)[O-])NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is HQOBGSSKSHCXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O4/c15-11-5-2-1-4-10(11)8-17-13(19)9-22-12-6-3-7-16-14(12)18(20)21/h1-7H,8-9H2,(H,17,19).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 305.27 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 8650969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).