N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide

C16H16FN3O2 — CID 108985083

IUPACN-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCCc1ccccc1F)C(=O)NCc1cccnc1
InChIInChI=1S/C16H16FN3O2/c17-14-6-2-1-5-13(14)7-9-19-15(21)16(22)20-11-12-4-3-8-18-10-12/h1-6,8,10H,7,9,11H2,(H,19,21)(H,20,22)
InChIKeyQUSJGRFUXQEUKN-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.20
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide

N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide (PubChem CID 108985083) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
PubChem CID108985083
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCCc1ccccc1F)C(=O)NCc1cccnc1
InChIInChI=1S/C16H16FN3O2/c17-14-6-2-1-5-13(14)7-9-19-15(21)16(22)20-11-12-4-3-8-18-10-12/h1-6,8,10H,7,9,11H2,(H,19,21)(H,20,22)
InChIKeyQUSJGRFUXQEUKN-UHFFFAOYSA-N
XLogP1.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258815
N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307172
N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535
N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108502983
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 108985064
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 108506762
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111361148
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 21156621
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide (CID 108985083) is N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide is O=C(NCCc1ccccc1F)C(=O)NCc1cccnc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide?
The InChIKey is QUSJGRFUXQEUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-14-6-2-1-5-13(14)7-9-19-15(21)16(22)20-11-12-4-3-8-18-10-12/h1-6,8,10H,7,9,11H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide?
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide has a molecular weight of 301.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 108985083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).