2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide

C17H15N3O2 — CID 113180714

IUPAC2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1)c1ccccc1C#N
InChIInChI=1S/C17H15N3O2/c1-13(21)20(16-10-6-5-7-14(16)11-18)12-17(22)19-15-8-3-2-4-9-15/h2-10H,12H2,1H3,(H,19,22)
InChIKeyKYEGKTAANUFKOH-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.55
Rot. Bonds4

About 2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide

2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide (PubChem CID 113180714) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide
PubChem CID113180714
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1)c1ccccc1C#N
InChIInChI=1S/C17H15N3O2/c1-13(21)20(16-10-6-5-7-14(16)11-18)12-17(22)19-15-8-3-2-4-9-15/h2-10H,12H2,1H3,(H,19,22)
InChIKeyKYEGKTAANUFKOH-UHFFFAOYSA-N
XLogP2.55
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide
CID 113180757
2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113180763
2-(N-acetyl-2-cyanoanilino)-N-(2-chlorophenyl)acetamide
CID 113180740
2-(N-acetyl-2-ethylanilino)-N-phenylacetamide
CID 113169100
2-(N-acetyl-2-cyanoanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113180721
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide
CID 113175032
2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113180657
2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide
CID 113169003
2-(N-acetyl-2-phenoxyanilino)-N-phenylacetamide
CID 113179233
2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide
CID 113180649
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 113175092
methyl 2-[acetyl-[2-(4-cyanoanilino)-2-oxoethyl]amino]benzoate
CID 113176183

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide?
The IUPAC name of 2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide (CID 113180714) is 2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide?
The canonical SMILES for 2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide is CC(=O)N(CC(=O)Nc1ccccc1)c1ccccc1C#N.
What is the InChIKey of 2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide?
The InChIKey is KYEGKTAANUFKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-13(21)20(16-10-6-5-7-14(16)11-18)12-17(22)19-15-8-3-2-4-9-15/h2-10H,12H2,1H3,(H,19,22).
What are the key properties of 2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide?
2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide has a molecular weight of 293.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide is sourced from PubChem (CID 113180714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).