N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide

C17H17F2N3O2 — CID 108522052

IUPACN-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCCN(CCc1ccncc1)C(=O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H17F2N3O2/c1-2-22(11-8-12-6-9-20-10-7-12)17(24)16(23)21-15-13(18)4-3-5-14(15)19/h3-7,9-10H,2,8,11H2,1H3,(H,21,23)
InChIKeyBWFONIBMZXWWHU-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.39
Rot. Bonds5

About N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide

N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide (PubChem CID 108522052) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
PubChem CID108522052
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCCN(CCc1ccncc1)C(=O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H17F2N3O2/c1-2-22(11-8-12-6-9-20-10-7-12)17(24)16(23)21-15-13(18)4-3-5-14(15)19/h3-7,9-10H,2,8,11H2,1H3,(H,21,23)
InChIKeyBWFONIBMZXWWHU-UHFFFAOYSA-N
XLogP2.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-ethyl-N'-(2-pyridin-4-ylethyl)-N-(2,4,6-trimethylphenyl)oxamide
CID 108512257
N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108512603
N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108515686
N-(2-chlorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108500313
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
1-ethyl-3-(2-fluorophenyl)-1-(2-pyridin-4-ylethyl)urea
CID 108866844
N-[4-(dimethylamino)phenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527350
N'-ethyl-N-(3-nitrophenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108513324
N-[3,5-bis(trifluoromethyl)phenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527377
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527424
N'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108521696
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide?
The IUPAC name of N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide (CID 108522052) is N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide is CCN(CCc1ccncc1)C(=O)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide?
The InChIKey is BWFONIBMZXWWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-2-22(11-8-12-6-9-20-10-7-12)17(24)16(23)21-15-13(18)4-3-5-14(15)19/h3-7,9-10H,2,8,11H2,1H3,(H,21,23).
What are the key properties of N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide?
N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide has a molecular weight of 333.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 108522052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).