N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide

C13H15F3N2O2 — CID 169111183

IUPACN'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESCCN(C(=O)C(N)=O)C(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O2/c1-3-18(12(20)11(17)19)8(2)9-4-6-10(7-5-9)13(14,15)16/h4-8H,3H2,1-2H3,(H2,17,19)
InChIKeyMKDVWCJNTIOAPL-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.10
Rot. Bonds3

About N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide

N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide (PubChem CID 169111183) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
PubChem CID169111183
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESCCN(C(=O)C(N)=O)C(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O2/c1-3-18(12(20)11(17)19)8(2)9-4-6-10(7-5-9)13(14,15)16/h4-8H,3H2,1-2H3,(H2,17,19)
InChIKeyMKDVWCJNTIOAPL-UHFFFAOYSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoroethyl 2-[ethyl-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]amino]-2-oxoacetate
CID 169110968
N-[1-(4-tert-butylphenyl)ethyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 143822828
N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine
CID 143698340
2-methyl-3-[methyl-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoic acid
CID 65071606
N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 95571773
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62225357
N-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43265565
(Z)-1-[amino-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethene-1,2-diamine;ethane
CID 144730879
2-methyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]propanamide
CID 61219595
N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119794790
1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea
CID 19868741

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The IUPAC name of N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide (CID 169111183) is N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide.
What is the SMILES notation for N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The canonical SMILES for N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide is CCN(C(=O)C(N)=O)C(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The InChIKey is MKDVWCJNTIOAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-3-18(12(20)11(17)19)8(2)9-4-6-10(7-5-9)13(14,15)16/h4-8H,3H2,1-2H3,(H2,17,19).
What are the key properties of N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide has a molecular weight of 288.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide is sourced from PubChem (CID 169111183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).