3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide

C17H15ClF2N2O2 — CID 113135426

IUPAC3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(Cl)c1)c1c(F)cccc1F
InChIInChI=1S/C17H15ClF2N2O2/c1-11(23)22(17-14(19)6-3-7-15(17)20)9-8-16(24)21-13-5-2-4-12(18)10-13/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyYFKJJIWYSBWBCC-UHFFFAOYSA-N
MW352.77 g/mol
LogP4.00
Rot. Bonds5

About 3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide

3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide (PubChem CID 113135426) has the molecular formula C17H15ClF2N2O2 and a molecular weight of 352.77 g/mol. Its IUPAC name is 3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide
PubChem CID113135426
Molecular FormulaC17H15ClF2N2O2
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC Name3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(Cl)c1)c1c(F)cccc1F
InChIInChI=1S/C17H15ClF2N2O2/c1-11(23)22(17-14(19)6-3-7-15(17)20)9-8-16(24)21-13-5-2-4-12(18)10-13/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyYFKJJIWYSBWBCC-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,6-difluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113135432
3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113135449
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113126328
3-(N-acetyl-2-ethylanilino)-N-(3-chlorophenyl)propanamide
CID 113125262
3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide
CID 113132588
3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide
CID 113134036
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113125911
3-(N-acetyl-2,4-dimethylanilino)-N-(3-chlorophenyl)propanamide
CID 113124224
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279
2-(N-acetyl-2,6-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113181456
3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide
CID 113124917
3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide
CID 113133926

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide (CID 113135426) is 3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(Cl)c1)c1c(F)cccc1F.
What is the InChIKey of 3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide?
The InChIKey is YFKJJIWYSBWBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O2/c1-11(23)22(17-14(19)6-3-7-15(17)20)9-8-16(24)21-13-5-2-4-12(18)10-13/h2-7,10H,8-9H2,1H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide?
3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide has a molecular weight of 352.77 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 113135426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).