3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide

C18H19FN2O2 — CID 113132424

IUPAC3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide
SMILESCC(=O)N(CCC(=O)N(C)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C18H19FN2O2/c1-14(22)21(17-10-6-7-15(19)13-17)12-11-18(23)20(2)16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3
InChIKeyIGMUBAKMPDNGFD-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.23
Rot. Bonds5

About 3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide

3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide (PubChem CID 113132424) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide
PubChem CID113132424
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide
SMILESCC(=O)N(CCC(=O)N(C)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C18H19FN2O2/c1-14(22)21(17-10-6-7-15(19)13-17)12-11-18(23)20(2)16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3
InChIKeyIGMUBAKMPDNGFD-UHFFFAOYSA-N
XLogP3.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide
CID 113131003
3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide
CID 113133788
3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide
CID 113128623
3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide
CID 113126191
3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113132364
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide
CID 113062638
3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide
CID 113132410
N-(3-fluorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113132342
3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113132367
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-cyano-N-(3-fluorophenyl)-N-methylpropanamide
CID 115173707
N-(3-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113132344

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide (CID 113132424) is 3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide is CC(=O)N(CCC(=O)N(C)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide?
The InChIKey is IGMUBAKMPDNGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-14(22)21(17-10-6-7-15(19)13-17)12-11-18(23)20(2)16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide?
3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide has a molecular weight of 314.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 113132424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).