N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide

C17H18FN3O2 — CID 108512603

IUPACN'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCCN(CCc1ccncc1)C(=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2/c1-2-21(12-9-13-7-10-19-11-8-13)17(23)16(22)20-15-5-3-14(18)4-6-15/h3-8,10-11H,2,9,12H2,1H3,(H,20,22)
InChIKeyAJVBHJLFSKQDGS-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.25
Rot. Bonds5

About N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide

N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide (PubChem CID 108512603) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide
PubChem CID108512603
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCCN(CCc1ccncc1)C(=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2/c1-2-21(12-9-13-7-10-19-11-8-13)17(23)16(22)20-15-5-3-14(18)4-6-15/h3-8,10-11H,2,9,12H2,1H3,(H,20,22)
InChIKeyAJVBHJLFSKQDGS-UHFFFAOYSA-N
XLogP2.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)phenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527350
N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108515686
N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108522052
N-[3,5-bis(trifluoromethyl)phenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527377
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
N'-ethyl-N'-(2-pyridin-4-ylethyl)-N-(2,4,6-trimethylphenyl)oxamide
CID 108512257
N'-ethyl-N-(3-nitrophenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108513324
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea
CID 108902141
N-(2-chlorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108500313
3-(4-bromophenyl)-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108869272
4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757168
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527424

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide?
The IUPAC name of N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide (CID 108512603) is N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide is CCN(CCc1ccncc1)C(=O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide?
The InChIKey is AJVBHJLFSKQDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-2-21(12-9-13-7-10-19-11-8-13)17(23)16(22)20-15-5-3-14(18)4-6-15/h3-8,10-11H,2,9,12H2,1H3,(H,20,22).
What are the key properties of N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide?
N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide has a molecular weight of 315.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 108512603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).