N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide

C10H9F3N2O2 — CID 44998962

IUPACN-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3N2O2/c1-14-8(16)9(17)15-7-4-2-6(3-5-7)10(11,12)13/h2-5H,1H3,(H,14,16)(H,15,17)
InChIKeyWBIIZKGINLCCQF-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.39
Rot. Bonds1

About N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide

N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 44998962) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID44998962
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC NameN-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3N2O2/c1-14-8(16)9(17)15-7-4-2-6(3-5-7)10(11,12)13/h2-5H,1H3,(H,14,16)(H,15,17)
InChIKeyWBIIZKGINLCCQF-UHFFFAOYSA-N
XLogP1.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.39
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

molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 51471474
N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998922
N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 43315998
N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998950
N-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 48894809
N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108522806
N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108530569
N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 18588731
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
potassium [4-(trifluoromethyl)phenyl]carbamoylazanide
CID 143489977
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide (CID 44998962) is N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide is CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is WBIIZKGINLCCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c1-14-8(16)9(17)15-7-4-2-6(3-5-7)10(11,12)13/h2-5H,1H3,(H,14,16)(H,15,17).
What are the key properties of N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide?
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 246.19 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 44998962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).