3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide

C20H20FN3O2 — CID 113134695

IUPAC3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccccc1F)c1ccccc1C#N
InChIInChI=1S/C20H20FN3O2/c1-15(25)24(19-9-5-3-7-17(19)14-22)13-11-20(26)23-12-10-16-6-2-4-8-18(16)21/h2-9H,10-13H2,1H3,(H,23,26)
InChIKeyWZBZUDNJYKVHAK-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.80
Rot. Bonds7

About 3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide

3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide (PubChem CID 113134695) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
PubChem CID113134695
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccccc1F)c1ccccc1C#N
InChIInChI=1S/C20H20FN3O2/c1-15(25)24(19-9-5-3-7-17(19)14-22)13-11-20(26)23-12-10-16-6-2-4-8-18(16)21/h2-9H,10-13H2,1H3,(H,23,26)
InChIKeyWZBZUDNJYKVHAK-UHFFFAOYSA-N
XLogP2.80
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113123573
3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113134668
3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113126674
3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113134686
3-(N-acetyl-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113129983
3-(N-acetyl-3,4-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113124504
3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113134685
3-(N-acetyl-2-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113126659
3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113125183
N-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113064122
3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113130221
2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000386

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide (CID 113134695) is 3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide is CC(=O)N(CCC(=O)NCCc1ccccc1F)c1ccccc1C#N.
What is the InChIKey of 3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The InChIKey is WZBZUDNJYKVHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-15(25)24(19-9-5-3-7-17(19)14-22)13-11-20(26)23-12-10-16-6-2-4-8-18(16)21/h2-9H,10-13H2,1H3,(H,23,26).
What are the key properties of 3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide has a molecular weight of 353.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 113134695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).