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

C16H16FN3O2 — CID 108985064

IUPACN-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCCc1ccccc1F)C(=O)NCc1ccccn1
InChIInChI=1S/C16H16FN3O2/c17-14-7-2-1-5-12(14)8-10-19-15(21)16(22)20-11-13-6-3-4-9-18-13/h1-7,9H,8,10-11H2,(H,19,21)(H,20,22)
InChIKeyLNLFTKIYFRWHIG-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.20
Rot. Bonds5

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

N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide (PubChem CID 108985064) 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-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
PubChem CID108985064
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCCc1ccccc1F)C(=O)NCc1ccccn1
InChIInChI=1S/C16H16FN3O2/c17-14-7-2-1-5-12(14)8-10-19-15(21)16(22)20-11-13-6-3-4-9-18-13/h1-7,9H,8,10-11H2,(H,19,21)(H,20,22)
InChIKeyLNLFTKIYFRWHIG-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

N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087210
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
2-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723813
N-[2-(2-fluorophenyl)ethyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212815
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
CID 71676617
N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2266097
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108985083
1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 48629926
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid
CID 17052907
N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389314
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide (CID 108985064) is N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide is O=C(NCCc1ccccc1F)C(=O)NCc1ccccn1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide?
The InChIKey is LNLFTKIYFRWHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-14-7-2-1-5-12(14)8-10-19-15(21)16(22)20-11-13-6-3-4-9-18-13/h1-7,9H,8,10-11H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide?
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-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-2-ylmethyl)oxamide is sourced from PubChem (CID 108985064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).