N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide

C17H16FN3O — CID 18086016

IUPACN-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
SMILESCC(NCC(=O)Nc1ccccc1C#N)c1ccccc1F
InChIInChI=1S/C17H16FN3O/c1-12(14-7-3-4-8-15(14)18)20-11-17(22)21-16-9-5-2-6-13(16)10-19/h2-9,12,20H,11H2,1H3,(H,21,22)
InChIKeyVLMTWYSINRYJQJ-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.99
Rot. Bonds5

About N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide

N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide (PubChem CID 18086016) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
PubChem CID18086016
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
SMILESCC(NCC(=O)Nc1ccccc1C#N)c1ccccc1F
InChIInChI=1S/C17H16FN3O/c1-12(14-7-3-4-8-15(14)18)20-11-17(22)21-16-9-5-2-6-13(16)10-19/h2-9,12,20H,11H2,1H3,(H,21,22)
InChIKeyVLMTWYSINRYJQJ-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377512
N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086074
N-(2-acetylphenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086100
2-[1-(2-fluorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18086069
(2S)-2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]propanoic acid
CID 83194298
N-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133316
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
2-[1-(2-fluorophenyl)ethylamino]-N-methylacetamide
CID 43214691
N-(2,4-dichlorophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086055
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8922928
N-butan-2-yl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60693889

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide (CID 18086016) is N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide is CC(NCC(=O)Nc1ccccc1C#N)c1ccccc1F.
What is the InChIKey of N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide?
The InChIKey is VLMTWYSINRYJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-12(14-7-3-4-8-15(14)18)20-11-17(22)21-16-9-5-2-6-13(16)10-19/h2-9,12,20H,11H2,1H3,(H,21,22).
What are the key properties of N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide?
N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide has a molecular weight of 297.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide is sourced from PubChem (CID 18086016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).