N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide

C11H11F3N2O2 — CID 2251553

IUPACN-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O2/c1-2-15-9(17)10(18)16-8-5-3-4-7(6-8)11(12,13)14/h3-6H,2H2,1H3,(H,15,17)(H,16,18)
InChIKeyGRPBQPSMZMAZOR-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.78
Rot. Bonds2

About N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide

N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 2251553) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID2251553
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC NameN-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O2/c1-2-15-9(17)10(18)16-8-5-3-4-7(6-8)11(12,13)14/h3-6H,2H2,1H3,(H,15,17)(H,16,18)
InChIKeyGRPBQPSMZMAZOR-UHFFFAOYSA-N
XLogP1.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.78
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-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 3114001
N-(3,3-diethoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 172894057
N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501318
N-[(4-methoxyphenyl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2281299
N-(4-hydroxy-2,2-dimethylpentyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 111490713
N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501381
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide
CID 91423185
N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 4583432
N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90534599

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide (CID 2251553) is N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide is CCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is GRPBQPSMZMAZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-2-15-9(17)10(18)16-8-5-3-4-7(6-8)11(12,13)14/h3-6H,2H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide?
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 260.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 2251553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).