2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide

C11H11ClF3NO2 — CID 118168683

IUPAC2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H11ClF3NO2/c1-16(18-2)10(17)6-7-5-8(11(13,14)15)3-4-9(7)12/h3-5H,6H2,1-2H3
InChIKeyCKFNUQWNEUSADL-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.92
Rot. Bonds3

About 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide

2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide (PubChem CID 118168683) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide
PubChem CID118168683
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC Name2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H11ClF3NO2/c1-16(18-2)10(17)6-7-5-8(11(13,14)15)3-4-9(7)12/h3-5H,6H2,1-2H3
InChIKeyCKFNUQWNEUSADL-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-chloro-5-(trifluoromethyl)phenyl]-3-hydroxy-N-methoxy-N-methylpropanamide
CID 164893310
2-(2,4-dichlorophenyl)-N-methoxy-N-methylacetamide
CID 18445352
4-[2-chloro-5-(trifluoromethyl)phenyl]butan-2-one
CID 82297621
2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]propanedioic acid
CID 170895454
methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate
CID 110604261
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 28567503
methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117424988
1-chloro-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene
CID 166607807
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine
CID 148766758
[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonate
CID 59623726
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 131739278

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide?
The IUPAC name of 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide (CID 118168683) is 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide is CON(C)C(=O)Cc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide?
The InChIKey is CKFNUQWNEUSADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c1-16(18-2)10(17)6-7-5-8(11(13,14)15)3-4-9(7)12/h3-5H,6H2,1-2H3.
What are the key properties of 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide?
2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide has a molecular weight of 281.66 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide is sourced from PubChem (CID 118168683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).