3-(2-chloro-4-fluorophenoxy)-N-methylazetidine-1-carboxamide

C11H12ClFN2O2 — CID 15042218

IUPAC3-(2-chloro-4-fluorophenoxy)-N-methylazetidine-1-carboxamide
SMILESCNC(=O)N1CC(Oc2ccc(F)cc2Cl)C1
InChIInChI=1S/C11H12ClFN2O2/c1-14-11(16)15-5-8(6-15)17-10-3-2-7(13)4-9(10)12/h2-4,8H,5-6H2,1H3,(H,14,16)
InChIKeyYOHODTDNGWBSKU-UHFFFAOYSA-N
MW258.68 g/mol
LogP1.88
Rot. Bonds2

About 3-(2-chloro-4-fluorophenoxy)-N-methylazetidine-1-carboxamide

3-(2-chloro-4-fluorophenoxy)-N-methylazetidine-1-carboxamide (PubChem CID 15042218) has the molecular formula C11H12ClFN2O2 and a molecular weight of 258.68 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenoxy)-N-methylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenoxy)-N-methylazetidine-1-carboxamide
PubChem CID15042218
Molecular FormulaC11H12ClFN2O2
Molecular Weight258.68 g/mol
Exact Mass258.06
IUPAC Name3-(2-chloro-4-fluorophenoxy)-N-methylazetidine-1-carboxamide
SMILESCNC(=O)N1CC(Oc2ccc(F)cc2Cl)C1
InChIInChI=1S/C11H12ClFN2O2/c1-14-11(16)15-5-8(6-15)17-10-3-2-7(13)4-9(10)12/h2-4,8H,5-6H2,1H3,(H,14,16)
InChIKeyYOHODTDNGWBSKU-UHFFFAOYSA-N
XLogP1.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-methylazetidine-1-carboxamide?
The IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-methylazetidine-1-carboxamide (CID 15042218) is 3-(2-chloro-4-fluorophenoxy)-N-methylazetidine-1-carboxamide.
What is the SMILES notation for 3-(2-chloro-4-fluorophenoxy)-N-methylazetidine-1-carboxamide?
The canonical SMILES for 3-(2-chloro-4-fluorophenoxy)-N-methylazetidine-1-carboxamide is CNC(=O)N1CC(Oc2ccc(F)cc2Cl)C1.
What is the InChIKey of 3-(2-chloro-4-fluorophenoxy)-N-methylazetidine-1-carboxamide?
The InChIKey is YOHODTDNGWBSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O2/c1-14-11(16)15-5-8(6-15)17-10-3-2-7(13)4-9(10)12/h2-4,8H,5-6H2,1H3,(H,14,16).
What are the key properties of 3-(2-chloro-4-fluorophenoxy)-N-methylazetidine-1-carboxamide?
3-(2-chloro-4-fluorophenoxy)-N-methylazetidine-1-carboxamide has a molecular weight of 258.68 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenoxy)-N-methylazetidine-1-carboxamide is sourced from PubChem (CID 15042218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).