2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

C11H11ClF3NO2 — CID 95241388

IUPAC2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESC[C@@H](NC(=O)CCl)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H11ClF3NO2/c1-7(16-10(17)6-12)8-2-4-9(5-3-8)18-11(13,14)15/h2-5,7H,6H2,1H3,(H,16,17)/t7-/m1/s1
InChIKeyQLZKQLKMOXKABO-SSDOTTSWSA-N
MW281.66 g/mol
LogP3.00
Rot. Bonds4

About 2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 95241388) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
PubChem CID95241388
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC Name2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESC[C@@H](NC(=O)CCl)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H11ClF3NO2/c1-7(16-10(17)6-12)8-2-4-9(5-3-8)18-11(13,14)15/h2-5,7H,6H2,1H3,(H,16,17)/t7-/m1/s1
InChIKeyQLZKQLKMOXKABO-SSDOTTSWSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 42957035
2-(4-ethoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46547803
N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
CID 43567720
tert-butyl N-[3-oxo-3-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]carbamate
CID 46413620
2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55611461
N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 166408095
2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide
CID 141483840
4-[[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]carbamoylamino]butanoic acid
CID 122011640
N-[1-(4-methylphenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577678
2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 51938037
3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide
CID 51078073
N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46490982

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (CID 95241388) is 2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is C[C@@H](NC(=O)CCl)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is QLZKQLKMOXKABO-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c1-7(16-10(17)6-12)8-2-4-9(5-3-8)18-11(13,14)15/h2-5,7H,6H2,1H3,(H,16,17)/t7-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 281.66 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 95241388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).