N-(2-fluoro-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide

C16H15FN2O4 — CID 8560843

IUPACN-(2-fluoro-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C16H15FN2O4/c1-10-3-5-13(12(17)7-10)18-16(20)9-23-15-6-4-11(2)8-14(15)19(21)22/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyHKZGBEXMYRHYAO-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.37
Rot. Bonds5

About N-(2-fluoro-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide

N-(2-fluoro-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide (PubChem CID 8560843) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
PubChem CID8560843
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C16H15FN2O4/c1-10-3-5-13(12(17)7-10)18-16(20)9-23-15-6-4-11(2)8-14(15)19(21)22/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyHKZGBEXMYRHYAO-UHFFFAOYSA-N
XLogP3.37
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-fluoro-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide (CID 8560843) is N-(2-fluoro-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide is Cc1ccc(NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide?
The InChIKey is HKZGBEXMYRHYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-10-3-5-13(12(17)7-10)18-16(20)9-23-15-6-4-11(2)8-14(15)19(21)22/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide?
N-(2-fluoro-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide has a molecular weight of 318.30 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide is sourced from PubChem (CID 8560843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).