3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide

C18H18ClFN2O2 — CID 113128049

IUPAC3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1F)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H18ClFN2O2/c1-12-7-8-14(11-15(12)19)22(13(2)23)10-9-18(24)21-17-6-4-3-5-16(17)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyAPPYHWHTDONUAI-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.17
Rot. Bonds5

About 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide

3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide (PubChem CID 113128049) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide
PubChem CID113128049
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1F)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H18ClFN2O2/c1-12-7-8-14(11-15(12)19)22(13(2)23)10-9-18(24)21-17-6-4-3-5-16(17)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyAPPYHWHTDONUAI-UHFFFAOYSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide 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-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113128043
3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide
CID 113131770
methyl 4-[acetyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]benzoate
CID 113131545
3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide
CID 113128077
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113126745
3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113135637
3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113124622
3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113132451
3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113127429
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123845
3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113128131

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide (CID 113128049) is 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1F)c1ccc(C)c(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide?
The InChIKey is APPYHWHTDONUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-12-7-8-14(11-15(12)19)22(13(2)23)10-9-18(24)21-17-6-4-3-5-16(17)20/h3-8,11H,9-10H2,1-2H3,(H,21,24).
What are the key properties of 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide?
3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide has a molecular weight of 348.81 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 113128049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).