N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide

C16H14F2N2O2 — CID 108518572

IUPACN-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide
SMILESCCN(C(=O)C(=O)Nc1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C16H14F2N2O2/c1-2-20(11-7-4-3-5-8-11)16(22)15(21)19-14-12(17)9-6-10-13(14)18/h3-10H,2H2,1H3,(H,19,21)
InChIKeyWASNOSUOBJWDBS-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.96
Rot. Bonds3

About N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide

N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide (PubChem CID 108518572) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide
PubChem CID108518572
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC NameN-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide
SMILESCCN(C(=O)C(=O)Nc1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C16H14F2N2O2/c1-2-20(11-7-4-3-5-8-11)16(22)15(21)19-14-12(17)9-6-10-13(14)18/h3-10H,2H2,1H3,(H,19,21)
InChIKeyWASNOSUOBJWDBS-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dichlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108500732
N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108516466
N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide
CID 108518654
N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532413
N'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide
CID 108515113
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
CID 108518693
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide
CID 108518687
N'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide
CID 108518697
N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide
CID 108520821
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N'-(2,6-difluorophenyl)-N-methyloxamide
CID 47224850

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide?
The IUPAC name of N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide (CID 108518572) is N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide is CCN(C(=O)C(=O)Nc1c(F)cccc1F)c1ccccc1.
What is the InChIKey of N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide?
The InChIKey is WASNOSUOBJWDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-2-20(11-7-4-3-5-8-11)16(22)15(21)19-14-12(17)9-6-10-13(14)18/h3-10H,2H2,1H3,(H,19,21).
What are the key properties of N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide?
N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide has a molecular weight of 304.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide is sourced from PubChem (CID 108518572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).