N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide

C14H15F3N2O2 — CID 45000423

IUPACN-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C(=O)NC1CCCC1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)10-7-3-4-8-11(10)19-13(21)12(20)18-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,18,20)(H,19,21)
InChIKeyRWTQTSIKGDQJRB-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.70
Rot. Bonds2

About N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide

N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide (PubChem CID 45000423) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide
PubChem CID45000423
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC NameN-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C(=O)NC1CCCC1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)10-7-3-4-8-11(10)19-13(21)12(20)18-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,18,20)(H,19,21)
InChIKeyRWTQTSIKGDQJRB-UHFFFAOYSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.70
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-tert-butylphenyl)-N-cycloheptyloxamide
CID 108530177
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108966127
N-cyclopentyl-N'-(2-methylphenyl)oxamide
CID 2290931
2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005582
N'-(2-chlorophenyl)-N-cyclohexyloxamide
CID 7541659
(Z)-2-cyano-N-cyclohexyl-3-[2-(trifluoromethyl)anilino]prop-2-enamide
CID 108831343
1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61314248
(Z)-2-cyano-3-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 108823015
1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 47031918
N-cyclododecyl-N'-naphthalen-1-yloxamide
CID 108517411
N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 18588731

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide (CID 45000423) is N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide is O=C(Nc1ccccc1C(F)(F)F)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide?
The InChIKey is RWTQTSIKGDQJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)10-7-3-4-8-11(10)19-13(21)12(20)18-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,18,20)(H,19,21).
What are the key properties of N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide?
N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide has a molecular weight of 300.28 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 45000423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).