N-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide

C12H11F3N2O2 — CID 45000430

IUPACN-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESC=CCNC(=O)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O2/c1-2-7-16-10(18)11(19)17-9-6-4-3-5-8(9)12(13,14)15/h2-6H,1,7H2,(H,16,18)(H,17,19)
InChIKeyHZAWOWNTPSAYMD-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.95
Rot. Bonds3

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

N-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide (PubChem CID 45000430) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is N-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide
PubChem CID45000430
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC NameN-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESC=CCNC(=O)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O2/c1-2-7-16-10(18)11(19)17-9-6-4-3-5-8(9)12(13,14)15/h2-6H,1,7H2,(H,16,18)(H,17,19)
InChIKeyHZAWOWNTPSAYMD-UHFFFAOYSA-N
XLogP1.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
CID 52591377
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000500
methyl 2-[[2-oxo-2-(prop-2-enylamino)acetyl]amino]benzoate
CID 3607334
N'-[(Z)-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126169649
N-(4-hydroxy-2,2-dimethylbutyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 111491182
N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide
CID 4185911
5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109224282
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
N'-(2,5-difluorophenyl)-N-prop-2-enyloxamide
CID 7585077
3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067079
N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126163586

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide (CID 45000430) is N-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide is C=CCNC(=O)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide?
The InChIKey is HZAWOWNTPSAYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-2-7-16-10(18)11(19)17-9-6-4-3-5-8(9)12(13,14)15/h2-6H,1,7H2,(H,16,18)(H,17,19).
What are the key properties of N-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide?
N-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide has a molecular weight of 272.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 45000430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).