N-(4-fluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide

C13H10FN3O4 — CID 3890773

IUPACN-(4-fluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESO=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(F)cc1
InChIInChI=1S/C13H10FN3O4/c14-9-3-5-10(6-4-9)16-12(18)8-21-11-2-1-7-15-13(11)17(19)20/h1-7H,8H2,(H,16,18)
InChIKeyWSTDHMWOUCMZRT-UHFFFAOYSA-N
MW291.24 g/mol
LogP2.15
Rot. Bonds5

About N-(4-fluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide

N-(4-fluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 3890773) has the molecular formula C13H10FN3O4 and a molecular weight of 291.24 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID3890773
Molecular FormulaC13H10FN3O4
Molecular Weight291.24 g/mol
Exact Mass291.07
IUPAC NameN-(4-fluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESO=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(F)cc1
InChIInChI=1S/C13H10FN3O4/c14-9-3-5-10(6-4-9)16-12(18)8-21-11-2-1-7-15-13(11)17(19)20/h1-7H,8H2,(H,16,18)
InChIKeyWSTDHMWOUCMZRT-UHFFFAOYSA-N
XLogP2.15
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide (CID 3890773) is N-(4-fluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide is O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is WSTDHMWOUCMZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O4/c14-9-3-5-10(6-4-9)16-12(18)8-21-11-2-1-7-15-13(11)17(19)20/h1-7H,8H2,(H,16,18).
What are the key properties of N-(4-fluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
N-(4-fluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 291.24 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 3890773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).