3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide

C19H18F2N2O3 — CID 113135614

IUPAC3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(C(C)=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H18F2N2O3/c1-12(24)14-4-3-5-15(10-14)22-19(26)8-9-23(13(2)25)16-6-7-17(20)18(21)11-16/h3-7,10-11H,8-9H2,1-2H3,(H,22,26)
InChIKeyFQLMGMKAIJAASY-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.55
Rot. Bonds6

About 3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide

3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide (PubChem CID 113135614) has the molecular formula C19H18F2N2O3 and a molecular weight of 360.36 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide
PubChem CID113135614
Molecular FormulaC19H18F2N2O3
Molecular Weight360.36 g/mol
Exact Mass360.13
IUPAC Name3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(C(C)=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H18F2N2O3/c1-12(24)14-4-3-5-15(10-14)22-19(26)8-9-23(13(2)25)16-6-7-17(20)18(21)11-16/h3-7,10-11H,8-9H2,1-2H3,(H,22,26)
InChIKeyFQLMGMKAIJAASY-UHFFFAOYSA-N
XLogP3.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113147280
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide
CID 113130904
3-(N-acetyl-3,4-difluoroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113135622
3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127507
3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113135637
3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 113128648
3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide
CID 113133926
N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide
CID 113130769
3-(N-acetyl-3,4-difluoroanilino)propanoic acid
CID 28764847
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
methyl 4-[3-(N,3-diacetylanilino)propanoylamino]benzoate
CID 113130750

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide (CID 113135614) is 3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide is CC(=O)c1cccc(NC(=O)CCN(C(C)=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide?
The InChIKey is FQLMGMKAIJAASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O3/c1-12(24)14-4-3-5-15(10-14)22-19(26)8-9-23(13(2)25)16-6-7-17(20)18(21)11-16/h3-7,10-11H,8-9H2,1-2H3,(H,22,26).
What are the key properties of 3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide?
3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide has a molecular weight of 360.36 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide is sourced from PubChem (CID 113135614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).