2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C11H9ClF3NO2 — CID 155212094

IUPAC2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(CCl)NCC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9ClF3NO2/c12-5-10(18)16-6-9(17)7-2-1-3-8(4-7)11(13,14)15/h1-4H,5-6H2,(H,16,18)
InChIKeyMLAIOAFXSXQGHI-UHFFFAOYSA-N
MW279.65 g/mol
LogP2.24
Rot. Bonds4

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

2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 155212094) has the molecular formula C11H9ClF3NO2 and a molecular weight of 279.65 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID155212094
Molecular FormulaC11H9ClF3NO2
Molecular Weight279.65 g/mol
Exact Mass279.03
IUPAC Name2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(CCl)NCC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9ClF3NO2/c12-5-10(18)16-6-9(17)7-2-1-3-8(4-7)11(13,14)15/h1-4H,5-6H2,(H,16,18)
InChIKeyMLAIOAFXSXQGHI-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 113220833
2-iodo-1-[3-(trifluoromethyl)phenyl]ethanone
CID 22137990
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 116582339
1-(4-ethylphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 22947144
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 55659179
3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 11000484
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone
CID 159329806

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 155212094) is 2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide is O=C(CCl)NCC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is MLAIOAFXSXQGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO2/c12-5-10(18)16-6-9(17)7-2-1-3-8(4-7)11(13,14)15/h1-4H,5-6H2,(H,16,18).
What are the key properties of 2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 279.65 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 155212094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).