N'-[1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide

C19H19F3N2O2 — CID 2818736

IUPACN'-[1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESCc1ccc(C(C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C19H19F3N2O2/c1-11-7-8-16(12(2)9-11)13(3)23-17(25)18(26)24-15-6-4-5-14(10-15)19(20,21)22/h4-10,13H,1-3H3,(H,23,25)(H,24,26)
InChIKeyCYVGPOVTJDOWEH-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.14
Rot. Bonds3

About N'-[1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide

N'-[1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 2818736) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N'-[1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID2818736
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN'-[1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESCc1ccc(C(C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C19H19F3N2O2/c1-11-7-8-16(12(2)9-11)13(3)23-17(25)18(26)24-15-6-4-5-14(10-15)19(20,21)22/h4-10,13H,1-3H3,(H,23,25)(H,24,26)
InChIKeyCYVGPOVTJDOWEH-UHFFFAOYSA-N
XLogP4.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-[1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide (CID 2818736) is N'-[1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-[1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-[1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide is Cc1ccc(C(C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1.
What is the InChIKey of N'-[1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is CYVGPOVTJDOWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-11-7-8-16(12(2)9-11)13(3)23-17(25)18(26)24-15-6-4-5-14(10-15)19(20,21)22/h4-10,13H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-[1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide?
N'-[1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 364.37 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 2818736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).