3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide

C18H19FN2O2 — CID 113126717

IUPAC3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1)c1ccccc1F
InChIInChI=1S/C18H19FN2O2/c1-13-6-5-7-15(12-13)20-18(23)10-11-21(14(2)22)17-9-4-3-8-16(17)19/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyLGMUJIJEHZBJKB-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.52
Rot. Bonds5

About 3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide

3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide (PubChem CID 113126717) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide
PubChem CID113126717
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1)c1ccccc1F
InChIInChI=1S/C18H19FN2O2/c1-13-6-5-7-15(12-13)20-18(23)10-11-21(14(2)22)17-9-4-3-8-16(17)19/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyLGMUJIJEHZBJKB-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126725
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide
CID 113135257
2-(N-acetyl-2,6-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113181456
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide
CID 113124261
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide
CID 113120974
3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113126804
3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113125150
3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113126745
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113179006
3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide
CID 113132588

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide (CID 113126717) is 3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(C)c1)c1ccccc1F.
What is the InChIKey of 3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide?
The InChIKey is LGMUJIJEHZBJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-13-6-5-7-15(12-13)20-18(23)10-11-21(14(2)22)17-9-4-3-8-16(17)19/h3-9,12H,10-11H2,1-2H3,(H,20,23).
What are the key properties of 3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide?
3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide has a molecular weight of 314.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 113126717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).