2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C11H11ClF3NO2 — CID 129032345

IUPAC2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(CCl)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11ClF3NO2/c12-5-10(18)16-6-9(17)7-1-3-8(4-2-7)11(13,14)15/h1-4,9,17H,5-6H2,(H,16,18)
InChIKeyQLRWXHXMVIHDEX-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.09
Rot. Bonds4

About 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 129032345) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID129032345
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC Name2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(CCl)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11ClF3NO2/c12-5-10(18)16-6-9(17)7-1-3-8(4-2-7)11(13,14)15/h1-4,9,17H,5-6H2,(H,16,18)
InChIKeyQLRWXHXMVIHDEX-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 90534709
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 90534682
N-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534932
1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 56765522
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946
3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 99873935
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide
CID 90534701
N'-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 56765505
N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 95368316
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide
CID 95368142

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 129032345) is 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is O=C(CCl)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is QLRWXHXMVIHDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c12-5-10(18)16-6-9(17)7-1-3-8(4-2-7)11(13,14)15/h1-4,9,17H,5-6H2,(H,16,18).
What are the key properties of 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 281.66 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 129032345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).