N-[4-[2-(2-cyano-3-fluoroanilino)ethyl]phenyl]acetamide

C17H16FN3O — CID 133287982

IUPACN-[4-[2-(2-cyano-3-fluoroanilino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNc2cccc(F)c2C#N)cc1
InChIInChI=1S/C17H16FN3O/c1-12(22)21-14-7-5-13(6-8-14)9-10-20-17-4-2-3-16(18)15(17)11-19/h2-8,20H,9-10H2,1H3,(H,21,22)
InChIKeyVVNUJZKKOQKYBD-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.31
Rot. Bonds5

About N-[4-[2-(2-cyano-3-fluoroanilino)ethyl]phenyl]acetamide

N-[4-[2-(2-cyano-3-fluoroanilino)ethyl]phenyl]acetamide (PubChem CID 133287982) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[4-[2-(2-cyano-3-fluoroanilino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-cyano-3-fluoroanilino)ethyl]phenyl]acetamide
PubChem CID133287982
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-[4-[2-(2-cyano-3-fluoroanilino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNc2cccc(F)c2C#N)cc1
InChIInChI=1S/C17H16FN3O/c1-12(22)21-14-7-5-13(6-8-14)9-10-20-17-4-2-3-16(18)15(17)11-19/h2-8,20H,9-10H2,1H3,(H,21,22)
InChIKeyVVNUJZKKOQKYBD-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-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide
CID 133287896
2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile
CID 78988425
N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]acetamide
CID 112983436
2-fluoro-6-[3-(4-methoxyphenyl)propylamino]benzonitrile
CID 133287453
N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide
CID 133287951
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
CID 2781266
2-fluoro-6-(2-methylsulfanylethylamino)benzonitrile
CID 78911018
2-(4-acetylanilino)-6-fluorobenzonitrile
CID 15041456
4-[(2-cyano-3-fluoroanilino)methyl]benzamide
CID 43399540
methyl 3-(2-cyano-3-fluoroanilino)-2-hydroxy-2-methylpropanoate
CID 104643983
N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide
CID 133279513

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-cyano-3-fluoroanilino)ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-cyano-3-fluoroanilino)ethyl]phenyl]acetamide (CID 133287982) is N-[4-[2-(2-cyano-3-fluoroanilino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-cyano-3-fluoroanilino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-cyano-3-fluoroanilino)ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CCNc2cccc(F)c2C#N)cc1.
What is the InChIKey of N-[4-[2-(2-cyano-3-fluoroanilino)ethyl]phenyl]acetamide?
The InChIKey is VVNUJZKKOQKYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-12(22)21-14-7-5-13(6-8-14)9-10-20-17-4-2-3-16(18)15(17)11-19/h2-8,20H,9-10H2,1H3,(H,21,22).
What are the key properties of N-[4-[2-(2-cyano-3-fluoroanilino)ethyl]phenyl]acetamide?
N-[4-[2-(2-cyano-3-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-(2-cyano-3-fluoroanilino)ethyl]phenyl]acetamide is sourced from PubChem (CID 133287982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).