N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide

C16H14FN3O — CID 60977237

IUPACN-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
SMILESCN(CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c1-20(15-8-4-13(17)5-9-15)11-16(21)19-14-6-2-12(10-18)3-7-14/h2-9H,11H2,1H3,(H,19,21)
InChIKeyFZZSWUGWSOIPJV-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.77
Rot. Bonds4

About N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide

N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide (PubChem CID 60977237) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
PubChem CID60977237
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
SMILESCN(CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c1-20(15-8-4-13(17)5-9-15)11-16(21)19-14-6-2-12(10-18)3-7-14/h2-9H,11H2,1H3,(H,19,21)
InChIKeyFZZSWUGWSOIPJV-UHFFFAOYSA-N
XLogP2.77
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide
CID 112843076
3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide
CID 113135117
2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide
CID 113181733
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
2-[[2-(3-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253306
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434
N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide
CID 60724445
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712093
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide
CID 61297875

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide (CID 60977237) is N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide is CN(CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide?
The InChIKey is FZZSWUGWSOIPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-20(15-8-4-13(17)5-9-15)11-16(21)19-14-6-2-12(10-18)3-7-14/h2-9H,11H2,1H3,(H,19,21).
What are the key properties of N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide?
N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide has a molecular weight of 283.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide is sourced from PubChem (CID 60977237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).