N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide

C15H13F2NO2 — CID 7815061

IUPACN-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2F)c(F)c1
InChIInChI=1S/C15H13F2NO2/c1-10-6-7-13(12(17)8-10)18-15(19)9-20-14-5-3-2-4-11(14)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyNPAXINXBVOQOQL-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.29
Rot. Bonds4

About N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide

N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide (PubChem CID 7815061) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide
PubChem CID7815061
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2F)c(F)c1
InChIInChI=1S/C15H13F2NO2/c1-10-6-7-13(12(17)8-10)18-15(19)9-20-14-5-3-2-4-11(14)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyNPAXINXBVOQOQL-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide (CID 7815061) is N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide is Cc1ccc(NC(=O)COc2ccccc2F)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide?
The InChIKey is NPAXINXBVOQOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-10-6-7-13(12(17)8-10)18-15(19)9-20-14-5-3-2-4-11(14)16/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide?
N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide has a molecular weight of 277.27 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 7815061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).