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

C14H15F3N2O2 — CID 18588731

IUPACN-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)9-5-7-11(8-6-9)19-13(21)12(20)18-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,18,20)(H,19,21)
InChIKeyNYJLTRULRXWHPK-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.70
Rot. Bonds2

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

N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 18588731) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID18588731
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC NameN-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)9-5-7-11(8-6-9)19-13(21)12(20)18-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,18,20)(H,19,21)
InChIKeyNYJLTRULRXWHPK-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-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 111840921
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
1-(azepan-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107172652
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide
CID 108504354
N-cyclohexyl-N'-phenyloxamide
CID 2271218
2-(cyclopentylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60647058
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
N-cyclohexyl-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585513
3-(cyclopentylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109013721
N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000423
N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide
CID 2059042

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide (CID 18588731) is N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is NYJLTRULRXWHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)9-5-7-11(8-6-9)19-13(21)12(20)18-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,18,20)(H,19,21).
What are the key properties of N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide?
N-cyclopentyl-N'-[4-(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'-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 18588731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).