N,N'-bis[2-(trifluoromethyl)phenyl]oxamide

C16H10F6N2O2 — CID 3696493

IUPACN,N'-bis[2-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H10F6N2O2/c17-15(18,19)9-5-1-3-7-11(9)23-13(25)14(26)24-12-8-4-2-6-10(12)16(20,21)22/h1-8H,(H,23,25)(H,24,26)
InChIKeyKYWNEGLHPCMJES-UHFFFAOYSA-N
MW376.26 g/mol
LogP4.30
Rot. Bonds2

About N,N'-bis[2-(trifluoromethyl)phenyl]oxamide

N,N'-bis[2-(trifluoromethyl)phenyl]oxamide (PubChem CID 3696493) has the molecular formula C16H10F6N2O2 and a molecular weight of 376.26 g/mol. Its IUPAC name is N,N'-bis[2-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[2-(trifluoromethyl)phenyl]oxamide
PubChem CID3696493
Molecular FormulaC16H10F6N2O2
Molecular Weight376.26 g/mol
Exact Mass376.06
IUPAC NameN,N'-bis[2-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H10F6N2O2/c17-15(18,19)9-5-1-3-7-11(9)23-13(25)14(26)24-12-8-4-2-6-10(12)16(20,21)22/h1-8H,(H,23,25)(H,24,26)
InChIKeyKYWNEGLHPCMJES-UHFFFAOYSA-N
XLogP4.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 54.30
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-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
N-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000430
(Z)-2,3-dichloro-4-oxo-4-[2-(trifluoromethyl)anilino]but-2-enoate
CID 7315411
N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000423
N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000500
N-(4-hydroxy-2,2-dimethylbutyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 111491182
N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000476
1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea
CID 108887668
2-methyl-2-(methylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62834657
1-carbamothioyl-3-[2-(trifluoromethyl)phenyl]urea
CID 134125791
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 95379595

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N,N'-bis[2-(trifluoromethyl)phenyl]oxamide (CID 3696493) is N,N'-bis[2-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N,N'-bis[2-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N,N'-bis[2-(trifluoromethyl)phenyl]oxamide is O=C(Nc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N,N'-bis[2-(trifluoromethyl)phenyl]oxamide?
The InChIKey is KYWNEGLHPCMJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N2O2/c17-15(18,19)9-5-1-3-7-11(9)23-13(25)14(26)24-12-8-4-2-6-10(12)16(20,21)22/h1-8H,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis[2-(trifluoromethyl)phenyl]oxamide?
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide has a molecular weight of 376.26 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 3696493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).