N-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide

C17H16FN3O — CID 133287896

IUPACN-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNc2ccc(C#N)cc2F)cc1
InChIInChI=1S/C17H16FN3O/c1-12(22)21-15-5-2-13(3-6-15)8-9-20-17-7-4-14(11-19)10-16(17)18/h2-7,10,20H,8-9H2,1H3,(H,21,22)
InChIKeyUKZDFLUVYHUWDS-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.31
Rot. Bonds5

About N-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide

N-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide (PubChem CID 133287896) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide
PubChem CID133287896
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNc2ccc(C#N)cc2F)cc1
InChIInChI=1S/C17H16FN3O/c1-12(22)21-15-5-2-13(3-6-15)8-9-20-17-7-4-14(11-19)10-16(17)18/h2-7,10,20H,8-9H2,1H3,(H,21,22)
InChIKeyUKZDFLUVYHUWDS-UHFFFAOYSA-N
XLogP3.31
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide
CID 78916095
3-fluoro-4-[2-(4-methoxyphenyl)ethylamino]benzonitrile
CID 43657066
N-[4-[2-(2-cyano-3-fluoroanilino)ethyl]phenyl]acetamide
CID 133287982
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]acetamide
CID 112983436
N-[4-[(2-chloro-4-cyanoanilino)methyl]phenyl]acetamide
CID 107807525
4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile
CID 133302391
3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
CID 114328975
N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109041216
N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide
CID 133287951
N-[4-[2-(4-chloro-2-nitroanilino)ethyl]phenyl]acetamide
CID 133287924

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide (CID 133287896) is N-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CCNc2ccc(C#N)cc2F)cc1.
What is the InChIKey of N-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide?
The InChIKey is UKZDFLUVYHUWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-12(22)21-15-5-2-13(3-6-15)8-9-20-17-7-4-14(11-19)10-16(17)18/h2-7,10,20H,8-9H2,1H3,(H,21,22).
What are the key properties of N-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide?
N-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide has a molecular weight of 297.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide is sourced from PubChem (CID 133287896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).