2-chloro-N,N-dimethyl-2-[2-(trifluoromethoxy)phenyl]acetamide

C11H11ClF3NO2 — CID 62225529

IUPAC2-chloro-N,N-dimethyl-2-[2-(trifluoromethoxy)phenyl]acetamide
SMILESCN(C)C(=O)C(Cl)c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H11ClF3NO2/c1-16(2)10(17)9(12)7-5-3-4-6-8(7)18-11(13,14)15/h3-6,9H,1-2H3
InChIKeyWKJIECQCCCDISW-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.95
Rot. Bonds3

About 2-chloro-N,N-dimethyl-2-[2-(trifluoromethoxy)phenyl]acetamide

2-chloro-N,N-dimethyl-2-[2-(trifluoromethoxy)phenyl]acetamide (PubChem CID 62225529) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-2-[2-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-2-[2-(trifluoromethoxy)phenyl]acetamide
PubChem CID62225529
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC Name2-chloro-N,N-dimethyl-2-[2-(trifluoromethoxy)phenyl]acetamide
SMILESCN(C)C(=O)C(Cl)c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H11ClF3NO2/c1-16(2)10(17)9(12)7-5-3-4-6-8(7)18-11(13,14)15/h3-6,9H,1-2H3
InChIKeyWKJIECQCCCDISW-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-chloro-[2-(trifluoromethoxy)phenyl]methanol
CID 130359004
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
methyl 3-methyl-2-[2-(trifluoromethoxy)phenyl]butanoate
CID 55071882
methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate
CID 60795431
2-methyl-3-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 81008606
phenyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62789776
(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792609
S-[2-(trifluoromethoxy)phenyl] ethanethioate
CID 125471117
(4-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792623
2-(1-chloro-2-oxopropyl)-6-(trifluoromethoxy)benzonitrile
CID 170837613
3-[2-(trifluoromethoxy)phenyl]butanamide
CID 50995485
1-chloro-1-[2-ethoxy-3-(trifluoromethoxy)phenyl]propan-2-one
CID 166640938

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-2-[2-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-chloro-N,N-dimethyl-2-[2-(trifluoromethoxy)phenyl]acetamide (CID 62225529) is 2-chloro-N,N-dimethyl-2-[2-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-2-[2-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-2-[2-(trifluoromethoxy)phenyl]acetamide is CN(C)C(=O)C(Cl)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-chloro-N,N-dimethyl-2-[2-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is WKJIECQCCCDISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c1-16(2)10(17)9(12)7-5-3-4-6-8(7)18-11(13,14)15/h3-6,9H,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-2-[2-(trifluoromethoxy)phenyl]acetamide?
2-chloro-N,N-dimethyl-2-[2-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 281.66 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-2-[2-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 62225529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).