3-acetamido-N-(3-fluoro-4-methylphenyl)propanamide

C12H15FN2O2 — CID 2529616

IUPAC3-acetamido-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCC(=O)NCCC(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C12H15FN2O2/c1-8-3-4-10(7-11(8)13)15-12(17)5-6-14-9(2)16/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyIACPZZYAMALZLE-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.60
Rot. Bonds4

About 3-acetamido-N-(3-fluoro-4-methylphenyl)propanamide

3-acetamido-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 2529616) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-acetamido-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID2529616
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name3-acetamido-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCC(=O)NCCC(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C12H15FN2O2/c1-8-3-4-10(7-11(8)13)15-12(17)5-6-14-9(2)16/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyIACPZZYAMALZLE-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-(3-fluoro-4-methylphenyl)propanamide (CID 2529616) is 3-acetamido-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(3-fluoro-4-methylphenyl)propanamide is CC(=O)NCCC(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of 3-acetamido-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is IACPZZYAMALZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-8-3-4-10(7-11(8)13)15-12(17)5-6-14-9(2)16/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 3-acetamido-N-(3-fluoro-4-methylphenyl)propanamide?
3-acetamido-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 238.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 2529616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).