3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide

C18H18F2N2O2 — CID 113123700

IUPAC3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1F)c1ccccc1C
InChIInChI=1S/C18H18F2N2O2/c1-12-5-3-4-6-17(12)22(13(2)23)10-9-18(24)21-16-8-7-14(19)11-15(16)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyHOCFBQBHYAELHE-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.65
Rot. Bonds5

About 3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide

3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide (PubChem CID 113123700) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide
PubChem CID113123700
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1F)c1ccccc1C
InChIInChI=1S/C18H18F2N2O2/c1-12-5-3-4-6-17(12)22(13(2)23)10-9-18(24)21-16-8-7-14(19)11-15(16)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyHOCFBQBHYAELHE-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167429
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113133497
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113125479
3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide
CID 113132672
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123651
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119215
3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide
CID 113133488
3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113126745
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide
CID 113130502
3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide
CID 113129022

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide (CID 113123700) is 3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)cc1F)c1ccccc1C.
What is the InChIKey of 3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide?
The InChIKey is HOCFBQBHYAELHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-12-5-3-4-6-17(12)22(13(2)23)10-9-18(24)21-16-8-7-14(19)11-15(16)20/h3-8,11H,9-10H2,1-2H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide?
3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide has a molecular weight of 332.35 g/mol, XLogP of 3.65, 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-methylanilino)-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 113123700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).