3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide

C23H21FN2O3 — CID 113126798

IUPAC3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1F
InChIInChI=1S/C23H21FN2O3/c1-17(27)26(21-13-7-5-11-19(21)24)16-15-23(28)25-20-12-6-8-14-22(20)29-18-9-3-2-4-10-18/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeyXZVBOTIRMAKVAW-UHFFFAOYSA-N
MW392.43 g/mol
LogP5.00
Rot. Bonds7

About 3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide

3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide (PubChem CID 113126798) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide
PubChem CID113126798
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1F
InChIInChI=1S/C23H21FN2O3/c1-17(27)26(21-13-7-5-11-19(21)24)16-15-23(28)25-20-12-6-8-14-22(20)29-18-9-3-2-4-10-18/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeyXZVBOTIRMAKVAW-UHFFFAOYSA-N
XLogP5.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113128801
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide
CID 113129771
3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129327
3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 113126806
3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113126745
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113130144
3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 113118157
3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113126804
3-(N-acetyl-2-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126725
3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
CID 113126653
3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 113126781

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide (CID 113126798) is 3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1F.
What is the InChIKey of 3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide?
The InChIKey is XZVBOTIRMAKVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-17(27)26(21-13-7-5-11-19(21)24)16-15-23(28)25-20-12-6-8-14-22(20)29-18-9-3-2-4-10-18/h2-14H,15-16H2,1H3,(H,25,28).
What are the key properties of 3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide?
3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide has a molecular weight of 392.43 g/mol, XLogP of 5.00, 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-fluoroanilino)-N-(2-phenoxyphenyl)propanamide is sourced from PubChem (CID 113126798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).