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

C18H15F6N3O2 — CID 108529062

IUPACN'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide
SMILESCN(C)c1cccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H15F6N3O2/c1-27(2)14-5-3-4-12(9-14)25-15(28)16(29)26-13-7-10(17(19,20)21)6-11(8-13)18(22,23)24/h3-9H,1-2H3,(H,25,28)(H,26,29)
InChIKeyFTDHDAOWVZKJPZ-UHFFFAOYSA-N
MW419.33 g/mol
LogP4.37
Rot. Bonds3

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

N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide (PubChem CID 108529062) has the molecular formula C18H15F6N3O2 and a molecular weight of 419.33 g/mol. Its IUPAC name is N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide.

Molecular Properties

Compound NameN'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide
PubChem CID108529062
Molecular FormulaC18H15F6N3O2
Molecular Weight419.33 g/mol
Exact Mass419.11
IUPAC NameN'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide
SMILESCN(C)c1cccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H15F6N3O2/c1-27(2)14-5-3-4-12(9-14)25-15(28)16(29)26-13-7-10(17(19,20)21)6-11(8-13)18(22,23)24/h3-9H,1-2H3,(H,25,28)(H,26,29)
InChIKeyFTDHDAOWVZKJPZ-UHFFFAOYSA-N
XLogP4.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2319650
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108520830
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523144
N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108511487
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide
CID 86807604
N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide
CID 100722444
N'-[3-(dimethylamino)phenyl]-N-pentyloxamide
CID 108521710
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172

Frequently Asked Questions

What is the IUPAC name of N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide?
The IUPAC name of N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide (CID 108529062) is N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide.
What is the SMILES notation for N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide?
The canonical SMILES for N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide is CN(C)c1cccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide?
The InChIKey is FTDHDAOWVZKJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6N3O2/c1-27(2)14-5-3-4-12(9-14)25-15(28)16(29)26-13-7-10(17(19,20)21)6-11(8-13)18(22,23)24/h3-9H,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide?
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide has a molecular weight of 419.33 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide is sourced from PubChem (CID 108529062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).