2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide

C9H6F3NO2 — CID 116996899

IUPAC2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H6F3NO2/c10-9(11,12)6-3-1-2-5(4-6)7(14)8(13)15/h1-4H,(H2,13,15)
InChIKeyDEHSFHFNMVUQRB-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.37
Rot. Bonds2

About 2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide

2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 116996899) has the molecular formula C9H6F3NO2 and a molecular weight of 217.15 g/mol. Its IUPAC name is 2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID116996899
Molecular FormulaC9H6F3NO2
Molecular Weight217.15 g/mol
Exact Mass217.04
IUPAC Name2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H6F3NO2/c10-9(11,12)6-3-1-2-5(4-6)7(14)8(13)15/h1-4H,(H2,13,15)
InChIKeyDEHSFHFNMVUQRB-UHFFFAOYSA-N
XLogP1.37
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.37
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-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone
CID 159329806
2-methyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 79190473
N-hydroxy-2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
CID 88704396
(Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 54704246
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
(Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 177472811
N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 609330
(3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43338250
S-(trifluoromethyl) 3-(trifluoromethyl)benzenecarbothioate
CID 132535624
bromo 3-(trifluoromethyl)benzoate
CID 121344380
N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
CID 63181749
2-iodo-1-[3-(trifluoromethyl)phenyl]ethanone
CID 22137990

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide (CID 116996899) is 2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide is NC(=O)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DEHSFHFNMVUQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO2/c10-9(11,12)6-3-1-2-5(4-6)7(14)8(13)15/h1-4H,(H2,13,15).
What are the key properties of 2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide?
2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 217.15 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 116996899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).