N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide

C18H14F6N2O2 — CID 108523144

IUPACN'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C18H14F6N2O2/c1-9-3-4-13(5-10(9)2)25-15(27)16(28)26-14-7-11(17(19,20)21)6-12(8-14)18(22,23)24/h3-8H,1-2H3,(H,25,27)(H,26,28)
InChIKeyONTJPFDAXUGZGM-UHFFFAOYSA-N
MW404.31 g/mol
LogP4.92
Rot. Bonds2

About N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide

N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide (PubChem CID 108523144) has the molecular formula C18H14F6N2O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
PubChem CID108523144
Molecular FormulaC18H14F6N2O2
Molecular Weight404.31 g/mol
Exact Mass404.10
IUPAC NameN'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C18H14F6N2O2/c1-9-3-4-13(5-10(9)2)25-15(27)16(28)26-14-7-11(17(19,20)21)6-12(8-14)18(22,23)24/h3-8H,1-2H3,(H,25,27)(H,26,28)
InChIKeyONTJPFDAXUGZGM-UHFFFAOYSA-N
XLogP4.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 54.92
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,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide
CID 108529062
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523166
N-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 108530336
N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide
CID 100722444
methyl 2-(3,4-dimethylanilino)-2-oxoacetate
CID 11557524
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 7922738
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]oxamide
CID 108522216
N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide
CID 86807604
N-(3,4-dimethylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108523109
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928

Frequently Asked Questions

What is the IUPAC name of N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide?
The IUPAC name of N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide (CID 108523144) is N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide.
What is the SMILES notation for N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide?
The canonical SMILES for N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C.
What is the InChIKey of N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide?
The InChIKey is ONTJPFDAXUGZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N2O2/c1-9-3-4-13(5-10(9)2)25-15(27)16(28)26-14-7-11(17(19,20)21)6-12(8-14)18(22,23)24/h3-8H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide?
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide has a molecular weight of 404.31 g/mol, XLogP of 4.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide is sourced from PubChem (CID 108523144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).