N-(4-fluorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide

C14H12FN3O4 — CID 4817366

IUPACN-(4-fluorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])n1
InChIInChI=1S/C14H12FN3O4/c1-9-2-7-12(14(16-9)18(20)21)22-8-13(19)17-11-5-3-10(15)4-6-11/h2-7H,8H2,1H3,(H,17,19)
InChIKeyGPNIDDVDNAYOHE-UHFFFAOYSA-N
MW305.27 g/mol
LogP2.45
Rot. Bonds5

About N-(4-fluorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide

N-(4-fluorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 4817366) has the molecular formula C14H12FN3O4 and a molecular weight of 305.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID4817366
Molecular FormulaC14H12FN3O4
Molecular Weight305.27 g/mol
Exact Mass305.08
IUPAC NameN-(4-fluorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])n1
InChIInChI=1S/C14H12FN3O4/c1-9-2-7-12(14(16-9)18(20)21)22-8-13(19)17-11-5-3-10(15)4-6-11/h2-7H,8H2,1H3,(H,17,19)
InChIKeyGPNIDDVDNAYOHE-UHFFFAOYSA-N
XLogP2.45
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 52.45
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-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide (CID 4817366) is N-(4-fluorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide is Cc1ccc(OCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])n1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is GPNIDDVDNAYOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O4/c1-9-2-7-12(14(16-9)18(20)21)22-8-13(19)17-11-5-3-10(15)4-6-11/h2-7H,8H2,1H3,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
N-(4-fluorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 305.27 g/mol, XLogP of 2.45, 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-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 4817366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).