2-chloro-N-[2,3-dimethyl-6-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide

C13H15ClF3NO2 — CID 155581589

IUPAC2-chloro-N-[2,3-dimethyl-6-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide
SMILESCc1ccc(COCC(F)(F)F)c(NC(=O)CCl)c1C
InChIInChI=1S/C13H15ClF3NO2/c1-8-3-4-10(6-20-7-13(15,16)17)12(9(8)2)18-11(19)5-14/h3-4H,5-7H2,1-2H3,(H,18,19)
InChIKeyOGEHPIGKQYGFCD-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.56
Rot. Bonds5

About 2-chloro-N-[2,3-dimethyl-6-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide

2-chloro-N-[2,3-dimethyl-6-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide (PubChem CID 155581589) has the molecular formula C13H15ClF3NO2 and a molecular weight of 309.72 g/mol. Its IUPAC name is 2-chloro-N-[2,3-dimethyl-6-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2,3-dimethyl-6-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide
PubChem CID155581589
Molecular FormulaC13H15ClF3NO2
Molecular Weight309.72 g/mol
Exact Mass309.07
IUPAC Name2-chloro-N-[2,3-dimethyl-6-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide
SMILESCc1ccc(COCC(F)(F)F)c(NC(=O)CCl)c1C
InChIInChI=1S/C13H15ClF3NO2/c1-8-3-4-10(6-20-7-13(15,16)17)12(9(8)2)18-11(19)5-14/h3-4H,5-7H2,1-2H3,(H,18,19)
InChIKeyOGEHPIGKQYGFCD-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.56
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

N-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205571
2-chloro-N-[2-[(2-chloro-2,2-difluoroethoxy)methyl]-5-methylphenyl]acetamide
CID 155580465
2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide
CID 115465158
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 26080663
N-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide
CID 14722532
N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86915349
4-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethoxymethyl)benzene
CID 170761957
N-(5-chloro-2-methylphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
CID 63829118
2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide
CID 166430570
N-[2,3-bis(bromomethyl)-6-tert-butylphenyl]-2-chloroacetamide
CID 12812535
N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine
CID 113314819
2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide
CID 174969003

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2,3-dimethyl-6-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2,3-dimethyl-6-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide (CID 155581589) is 2-chloro-N-[2,3-dimethyl-6-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2,3-dimethyl-6-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2,3-dimethyl-6-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide is Cc1ccc(COCC(F)(F)F)c(NC(=O)CCl)c1C.
What is the InChIKey of 2-chloro-N-[2,3-dimethyl-6-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide?
The InChIKey is OGEHPIGKQYGFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO2/c1-8-3-4-10(6-20-7-13(15,16)17)12(9(8)2)18-11(19)5-14/h3-4H,5-7H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-[2,3-dimethyl-6-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide?
2-chloro-N-[2,3-dimethyl-6-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide has a molecular weight of 309.72 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2,3-dimethyl-6-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide is sourced from PubChem (CID 155581589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).