N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide

C17H15F3N2O2 — CID 44998950

IUPACN'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O2/c1-2-11-5-3-4-6-14(11)22-16(24)15(23)21-13-9-7-12(8-10-13)17(18,19)20/h3-10H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyRYJHROPRQUKJOU-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.85
Rot. Bonds3

About N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide

N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 44998950) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID44998950
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O2/c1-2-11-5-3-4-6-14(11)22-16(24)15(23)21-13-9-7-12(8-10-13)17(18,19)20/h3-10H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyRYJHROPRQUKJOU-UHFFFAOYSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.85
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-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108532679
1-(2-ethylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3667887
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
N'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108509442
N'-(2-ethylphenyl)-N-naphthalen-2-yloxamide
CID 108528326
N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 5203478
N-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109291498
N'-(3,5-dichlorophenyl)-N-(2-ethylphenyl)oxamide
CID 108530358
N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998922
N-(3,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 44999448
2-(2-ethylanilino)-2-oxoacetyl chloride
CID 87858291

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide (CID 44998950) is N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide is CCc1ccccc1NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is RYJHROPRQUKJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-2-11-5-3-4-6-14(11)22-16(24)15(23)21-13-9-7-12(8-10-13)17(18,19)20/h3-10H,2H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 336.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 44998950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).