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

C17H14F4N2O2 — CID 113133551

IUPAC3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)c1ccc(F)cc1F
InChIInChI=1S/C17H14F4N2O2/c1-10(24)23(16-5-2-11(18)8-15(16)21)7-6-17(25)22-12-3-4-13(19)14(20)9-12/h2-5,8-9H,6-7H2,1H3,(H,22,25)
InChIKeyJKBOEBGXGJEMQW-UHFFFAOYSA-N
MW354.30 g/mol
LogP3.62
Rot. Bonds5

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

3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide (PubChem CID 113133551) has the molecular formula C17H14F4N2O2 and a molecular weight of 354.30 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
PubChem CID113133551
Molecular FormulaC17H14F4N2O2
Molecular Weight354.30 g/mol
Exact Mass354.10
IUPAC Name3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)c1ccc(F)cc1F
InChIInChI=1S/C17H14F4N2O2/c1-10(24)23(16-5-2-11(18)8-15(16)21)7-6-17(25)22-12-3-4-13(19)14(20)9-12/h2-5,8-9H,6-7H2,1H3,(H,22,25)
InChIKeyJKBOEBGXGJEMQW-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127507
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113133497
3-(N-acetyl-2,4-difluoroanilino)propanoic acid
CID 28764816
3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113125150
3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide
CID 113133486
3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127656
3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 113128648
3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide
CID 113133488
3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide
CID 113133398
2-(N-acetyl-2,4-difluoroanilino)-N-(3-fluorophenyl)acetamide
CID 113179072
3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide
CID 113134036

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide (CID 113133551) is 3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)c1ccc(F)cc1F.
What is the InChIKey of 3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide?
The InChIKey is JKBOEBGXGJEMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2O2/c1-10(24)23(16-5-2-11(18)8-15(16)21)7-6-17(25)22-12-3-4-13(19)14(20)9-12/h2-5,8-9H,6-7H2,1H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide?
3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide has a molecular weight of 354.30 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 113133551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).