2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide

C18H17FN4O2 — CID 26509872

IUPAC2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)CNc1cccc(C#N)c1
InChIInChI=1S/C18H17FN4O2/c1-23(12-17(24)22-15-7-5-14(19)6-8-15)18(25)11-21-16-4-2-3-13(9-16)10-20/h2-9,21H,11-12H2,1H3,(H,22,24)
InChIKeyXQINLLXBSZDFCD-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.21
Rot. Bonds6

About 2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide

2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 26509872) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID26509872
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)CNc1cccc(C#N)c1
InChIInChI=1S/C18H17FN4O2/c1-23(12-17(24)22-15-7-5-14(19)6-8-15)18(25)11-21-16-4-2-3-13(9-16)10-20/h2-9,21H,11-12H2,1H3,(H,22,24)
InChIKeyXQINLLXBSZDFCD-UHFFFAOYSA-N
XLogP2.21
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253306
2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9101406
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025
2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 24562343
2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide
CID 9101293
2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 26438593
N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 9106150
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
CID 60977237
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide
CID 24616694
N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011066
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001924

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide (CID 26509872) is 2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)CNc1cccc(C#N)c1.
What is the InChIKey of 2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is XQINLLXBSZDFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-23(12-17(24)22-15-7-5-14(19)6-8-15)18(25)11-21-16-4-2-3-13(9-16)10-20/h2-9,21H,11-12H2,1H3,(H,22,24).
What are the key properties of 2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 340.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 26509872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).