2-(2-chloro-4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide

C13H13ClFN3O2 — CID 63940430

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ncc[nH]1)C(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C13H13ClFN3O2/c1-18(7-12-16-4-5-17-12)13(19)8-20-11-3-2-9(15)6-10(11)14/h2-6H,7-8H2,1H3,(H,16,17)
InChIKeyOAGBTDQDSMICBC-UHFFFAOYSA-N
MW297.72 g/mol
LogP2.24
Rot. Bonds5

About 2-(2-chloro-4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide

2-(2-chloro-4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide (PubChem CID 63940430) has the molecular formula C13H13ClFN3O2 and a molecular weight of 297.72 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
PubChem CID63940430
Molecular FormulaC13H13ClFN3O2
Molecular Weight297.72 g/mol
Exact Mass297.07
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ncc[nH]1)C(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C13H13ClFN3O2/c1-18(7-12-16-4-5-17-12)13(19)8-20-11-3-2-9(15)6-10(11)14/h2-6H,7-8H2,1H3,(H,16,17)
InChIKeyOAGBTDQDSMICBC-UHFFFAOYSA-N
XLogP2.24
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide (CID 63940430) is 2-(2-chloro-4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide is CN(Cc1ncc[nH]1)C(=O)COc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The InChIKey is OAGBTDQDSMICBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2/c1-18(7-12-16-4-5-17-12)13(19)8-20-11-3-2-9(15)6-10(11)14/h2-6H,7-8H2,1H3,(H,16,17).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
2-(2-chloro-4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide has a molecular weight of 297.72 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 63940430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).