N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide

C16H13F3N2O3 — CID 108522806

IUPACN'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESCc1ccc(O)c(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H13F3N2O3/c1-9-2-7-13(22)12(8-9)21-15(24)14(23)20-11-5-3-10(4-6-11)16(17,18)19/h2-8,22H,1H3,(H,20,23)(H,21,24)
InChIKeyLGPLWKKAHJRFHG-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.30
Rot. Bonds2

About N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide

N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 108522806) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID108522806
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC NameN'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESCc1ccc(O)c(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H13F3N2O3/c1-9-2-7-13(22)12(8-9)21-15(24)14(23)20-11-5-3-10(4-6-11)16(17,18)19/h2-8,22H,1H3,(H,20,23)(H,21,24)
InChIKeyLGPLWKKAHJRFHG-UHFFFAOYSA-N
XLogP3.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108515794
N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108519420
N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108514438
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
N'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108509442
N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108522705
N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide
CID 108529851
N'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide
CID 108503273
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide (CID 108522806) is N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide is Cc1ccc(O)c(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is LGPLWKKAHJRFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-9-2-7-13(22)12(8-9)21-15(24)14(23)20-11-5-3-10(4-6-11)16(17,18)19/h2-8,22H,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 338.29 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108522806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).