N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide

C16H13F3N2O3 — CID 108515639

IUPACN'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H13F3N2O3/c1-8-3-6-12(24-2)11(7-8)21-16(23)15(22)20-10-5-4-9(17)13(18)14(10)19/h3-7H,1-2H3,(H,20,22)(H,21,23)
InChIKeyYVKJRLVPTAJRKZ-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.00
Rot. Bonds3

About N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide

N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide (PubChem CID 108515639) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide.

Molecular Properties

Compound NameN'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide
PubChem CID108515639
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC NameN'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H13F3N2O3/c1-8-3-6-12(24-2)11(7-8)21-16(23)15(22)20-10-5-4-9(17)13(18)14(10)19/h3-7H,1-2H3,(H,20,22)(H,21,23)
InChIKeyYVKJRLVPTAJRKZ-UHFFFAOYSA-N
XLogP3.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44998456
5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109293826
N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide
CID 109178240
4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109221903
N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108515607
N-(4-amino-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 155119428
N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108515633
2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109008882
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 113181330
N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955812

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide?
The IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide (CID 108515639) is N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide.
What is the SMILES notation for N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide?
The canonical SMILES for N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide is COc1ccc(C)cc1NC(=O)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide?
The InChIKey is YVKJRLVPTAJRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-8-3-6-12(24-2)11(7-8)21-16(23)15(22)20-10-5-4-9(17)13(18)14(10)19/h3-7H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide?
N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide has a molecular weight of 338.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide is sourced from PubChem (CID 108515639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).