2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide

C13H14F3NO2 — CID 110478382

IUPAC2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide
SMILESCC(=O)C(=O)NC(C)(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c1-8(18)11(19)17-12(2,3)9-6-4-5-7-10(9)13(14,15)16/h4-7H,1-3H3,(H,17,19)
InChIKeySONVXUBCCPFCIZ-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.65
Rot. Bonds3

About 2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide

2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide (PubChem CID 110478382) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide.

Molecular Properties

Compound Name2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide
PubChem CID110478382
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide
SMILESCC(=O)C(=O)NC(C)(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c1-8(18)11(19)17-12(2,3)9-6-4-5-7-10(9)13(14,15)16/h4-7H,1-3H3,(H,17,19)
InChIKeySONVXUBCCPFCIZ-UHFFFAOYSA-N
XLogP2.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.65
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

1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 110460027
2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid
CID 79366706
2-oxo-N-tritylpropanamide
CID 165388069
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-methyl-2-(methylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62834657
2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide
CID 68627712
2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 116566489
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
methyl 2-(trifluoromethyl)benzoate
CID 2775578
4-amino-3-methyl-3-[2-(trifluoromethyl)phenyl]pentanoic acid
CID 66099188
2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide
CID 110441991
(2-acetamidophenyl) 2-(trifluoromethyl)benzenesulfonate
CID 7938070

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide?
The IUPAC name of 2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide (CID 110478382) is 2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide.
What is the SMILES notation for 2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide?
The canonical SMILES for 2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide is CC(=O)C(=O)NC(C)(C)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide?
The InChIKey is SONVXUBCCPFCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-8(18)11(19)17-12(2,3)9-6-4-5-7-10(9)13(14,15)16/h4-7H,1-3H3,(H,17,19).
What are the key properties of 2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide?
2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide has a molecular weight of 273.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide is sourced from PubChem (CID 110478382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).