N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide

C15H9F5N2O2 — CID 108501381

IUPACN'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H9F5N2O2/c16-10-5-2-6-11(17)12(10)22-14(24)13(23)21-9-4-1-3-8(7-9)15(18,19)20/h1-7H,(H,21,23)(H,22,24)
InChIKeyBALGIUFTPPGUPN-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.56
Rot. Bonds2

About N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide

N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 108501381) has the molecular formula C15H9F5N2O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID108501381
Molecular FormulaC15H9F5N2O2
Molecular Weight344.24 g/mol
Exact Mass344.06
IUPAC NameN'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H9F5N2O2/c16-10-5-2-6-11(17)12(10)22-14(24)13(23)21-9-4-1-3-8(7-9)15(18,19)20/h1-7H,(H,21,23)(H,22,24)
InChIKeyBALGIUFTPPGUPN-UHFFFAOYSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.56
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-difluorophenyl)-N-(3-fluorophenyl)oxamide
CID 108522116
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
N'-(2,6-difluorophenyl)-N-(3-methylphenyl)oxamide
CID 108515662
N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108522076
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
(E)-2,3-dichloro-4-oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid
CID 5386948
2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 26289494
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956092

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide (CID 108501381) is N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide is O=C(Nc1cccc(C(F)(F)F)c1)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is BALGIUFTPPGUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5N2O2/c16-10-5-2-6-11(17)12(10)22-14(24)13(23)21-9-4-1-3-8(7-9)15(18,19)20/h1-7H,(H,21,23)(H,22,24).
What are the key properties of N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide?
N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 344.24 g/mol, XLogP of 3.56, 2 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-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108501381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).