N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide

C16H13F3N2O2 — CID 108985302

IUPACN'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide
SMILESO=C(NCCc1ccccc1F)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H13F3N2O2/c17-11-5-2-1-4-10(11)8-9-20-15(22)16(23)21-14-12(18)6-3-7-13(14)19/h1-7H,8-9H2,(H,20,22)(H,21,23)
InChIKeyUDUSXCSQNMJYRK-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.40
Rot. Bonds4

About N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide

N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide (PubChem CID 108985302) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide
PubChem CID108985302
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC NameN'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide
SMILESO=C(NCCc1ccccc1F)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H13F3N2O2/c17-11-5-2-1-4-10(11)8-9-20-15(22)16(23)21-14-12(18)6-3-7-13(14)19/h1-7H,8-9H2,(H,20,22)(H,21,23)
InChIKeyUDUSXCSQNMJYRK-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985279
N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide
CID 108985301
N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2266097
N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985263
N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide
CID 108513680
methyl 3-[[2-[2-(2-fluorophenyl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108985257
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900131
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948280
N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide
CID 47224631
N'-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108984898
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 108985064

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide?
The IUPAC name of N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide (CID 108985302) is N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide.
What is the SMILES notation for N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide?
The canonical SMILES for N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide is O=C(NCCc1ccccc1F)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide?
The InChIKey is UDUSXCSQNMJYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c17-11-5-2-1-4-10(11)8-9-20-15(22)16(23)21-14-12(18)6-3-7-13(14)19/h1-7H,8-9H2,(H,20,22)(H,21,23).
What are the key properties of N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide?
N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide has a molecular weight of 322.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide is sourced from PubChem (CID 108985302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).