3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide

C19H20FN3O3 — CID 113131024

IUPAC3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
SMILESCC(=O)Nc1cccc(N(CCC(=O)Nc2ccc(F)cc2)C(C)=O)c1
InChIInChI=1S/C19H20FN3O3/c1-13(24)21-17-4-3-5-18(12-17)23(14(2)25)11-10-19(26)22-16-8-6-15(20)7-9-16/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyLZJXDULFUABDLI-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.17
Rot. Bonds6

About 3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide

3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide (PubChem CID 113131024) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
PubChem CID113131024
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
SMILESCC(=O)Nc1cccc(N(CCC(=O)Nc2ccc(F)cc2)C(C)=O)c1
InChIInChI=1S/C19H20FN3O3/c1-13(24)21-17-4-3-5-18(12-17)23(14(2)25)11-10-19(26)22-16-8-6-15(20)7-9-16/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyLZJXDULFUABDLI-UHFFFAOYSA-N
XLogP3.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279
3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
CID 113131035
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 113131062
3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113131019
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide
CID 113130989
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968
3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113132453
3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide
CID 113132517
N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide
CID 113130904
3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123816

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide (CID 113131024) is 3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide is CC(=O)Nc1cccc(N(CCC(=O)Nc2ccc(F)cc2)C(C)=O)c1.
What is the InChIKey of 3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide?
The InChIKey is LZJXDULFUABDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-13(24)21-17-4-3-5-18(12-17)23(14(2)25)11-10-19(26)22-16-8-6-15(20)7-9-16/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of 3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide?
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide has a molecular weight of 357.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 113131024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).