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

C15H14FN3O4 — CID 4782003

IUPACN-(3-fluoro-4-methylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(C)c(F)c2)c([N+](=O)[O-])n1
InChIInChI=1S/C15H14FN3O4/c1-9-3-5-11(7-12(9)16)18-14(20)8-23-13-6-4-10(2)17-15(13)19(21)22/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeySWKHEOHUFIMFOD-UHFFFAOYSA-N
MW319.29 g/mol
LogP2.76
Rot. Bonds5

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

N-(3-fluoro-4-methylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 4782003) has the molecular formula C15H14FN3O4 and a molecular weight of 319.29 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID4782003
Molecular FormulaC15H14FN3O4
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(C)c(F)c2)c([N+](=O)[O-])n1
InChIInChI=1S/C15H14FN3O4/c1-9-3-5-11(7-12(9)16)18-14(20)8-23-13-6-4-10(2)17-15(13)19(21)22/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeySWKHEOHUFIMFOD-UHFFFAOYSA-N
XLogP2.76
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 52.76
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-(3-fluoro-4-methylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide (CID 4782003) is N-(3-fluoro-4-methylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide is Cc1ccc(OCC(=O)Nc2ccc(C)c(F)c2)c([N+](=O)[O-])n1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is SWKHEOHUFIMFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O4/c1-9-3-5-11(7-12(9)16)18-14(20)8-23-13-6-4-10(2)17-15(13)19(21)22/h3-7H,8H2,1-2H3,(H,18,20).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 319.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 4782003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).