2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide

C23H19N3O3 — CID 113177507

IUPAC2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C#N)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H19N3O3/c1-17(27)26(16-23(28)25-22-10-6-5-7-18(22)15-24)19-11-13-21(14-12-19)29-20-8-3-2-4-9-20/h2-14H,16H2,1H3,(H,25,28)
InChIKeyWFIYWQPASIPCJL-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.34
Rot. Bonds6

About 2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide

2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide (PubChem CID 113177507) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide
PubChem CID113177507
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C#N)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H19N3O3/c1-17(27)26(16-23(28)25-22-10-6-5-7-18(22)15-24)19-11-13-21(14-12-19)29-20-8-3-2-4-9-20/h2-14H,16H2,1H3,(H,25,28)
InChIKeyWFIYWQPASIPCJL-UHFFFAOYSA-N
XLogP4.34
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-4-chloroanilino)-N-(2-cyanophenyl)acetamide
CID 113171651
2-(N-acetyl-4-bromoanilino)-N-(2-cyanophenyl)acetamide
CID 113173018
2-(N-acetyl-4-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113171090
2-(N-acetyl-3,4-dimethylanilino)-N-(2-cyanophenyl)acetamide
CID 113168421
2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-cyanophenyl)acetamide
CID 113173097
2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide
CID 113178206
2-(N-acetyl-3-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113177751
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide
CID 113179180
2-(N-acetyl-4-methylanilino)-N-(2-phenoxyphenyl)acetamide
CID 113167825
2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113181547
2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide
CID 113169003
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 113175092

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide (CID 113177507) is 2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccccc1C#N)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide?
The InChIKey is WFIYWQPASIPCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-17(27)26(16-23(28)25-22-10-6-5-7-18(22)15-24)19-11-13-21(14-12-19)29-20-8-3-2-4-9-20/h2-14H,16H2,1H3,(H,25,28).
What are the key properties of 2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide?
2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide has a molecular weight of 385.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 113177507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).