2-chloro-N-methyl-N-[[1-methyl-5-(trifluoromethyl)imidazol-2-yl]methyl]acetamide

C9H11ClF3N3O — CID 146076978

IUPAC2-chloro-N-methyl-N-[[1-methyl-5-(trifluoromethyl)imidazol-2-yl]methyl]acetamide
SMILESCN(Cc1ncc(C(F)(F)F)n1C)C(=O)CCl
InChIInChI=1S/C9H11ClF3N3O/c1-15(8(17)3-10)5-7-14-4-6(16(7)2)9(11,12)13/h4H,3,5H2,1-2H3
InChIKeyAWUCFNVCXBINHN-UHFFFAOYSA-N
MW269.65 g/mol
LogP1.64
Rot. Bonds3

About 2-chloro-N-methyl-N-[[1-methyl-5-(trifluoromethyl)imidazol-2-yl]methyl]acetamide

2-chloro-N-methyl-N-[[1-methyl-5-(trifluoromethyl)imidazol-2-yl]methyl]acetamide (PubChem CID 146076978) has the molecular formula C9H11ClF3N3O and a molecular weight of 269.65 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[[1-methyl-5-(trifluoromethyl)imidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[[1-methyl-5-(trifluoromethyl)imidazol-2-yl]methyl]acetamide
PubChem CID146076978
Molecular FormulaC9H11ClF3N3O
Molecular Weight269.65 g/mol
Exact Mass269.05
IUPAC Name2-chloro-N-methyl-N-[[1-methyl-5-(trifluoromethyl)imidazol-2-yl]methyl]acetamide
SMILESCN(Cc1ncc(C(F)(F)F)n1C)C(=O)CCl
InChIInChI=1S/C9H11ClF3N3O/c1-15(8(17)3-10)5-7-14-4-6(16(7)2)9(11,12)13/h4H,3,5H2,1-2H3
InChIKeyAWUCFNVCXBINHN-UHFFFAOYSA-N
XLogP1.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[[1-methyl-5-(trifluoromethyl)imidazol-2-yl]methyl]acetamide?
The IUPAC name of 2-chloro-N-methyl-N-[[1-methyl-5-(trifluoromethyl)imidazol-2-yl]methyl]acetamide (CID 146076978) is 2-chloro-N-methyl-N-[[1-methyl-5-(trifluoromethyl)imidazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[[1-methyl-5-(trifluoromethyl)imidazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-[[1-methyl-5-(trifluoromethyl)imidazol-2-yl]methyl]acetamide is CN(Cc1ncc(C(F)(F)F)n1C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-methyl-N-[[1-methyl-5-(trifluoromethyl)imidazol-2-yl]methyl]acetamide?
The InChIKey is AWUCFNVCXBINHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O/c1-15(8(17)3-10)5-7-14-4-6(16(7)2)9(11,12)13/h4H,3,5H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[[1-methyl-5-(trifluoromethyl)imidazol-2-yl]methyl]acetamide?
2-chloro-N-methyl-N-[[1-methyl-5-(trifluoromethyl)imidazol-2-yl]methyl]acetamide has a molecular weight of 269.65 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[[1-methyl-5-(trifluoromethyl)imidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 146076978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).