2-(4-fluorophenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide

C16H17FN2O3 — CID 53184999

IUPAC2-(4-fluorophenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide
SMILESCOc1ncccc1CN(C)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O3/c1-19(10-12-4-3-9-18-16(12)21-2)15(20)11-22-14-7-5-13(17)6-8-14/h3-9H,10-11H2,1-2H3
InChIKeyMHKCYRDZQBXQDG-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.27
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide

2-(4-fluorophenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide (PubChem CID 53184999) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide
PubChem CID53184999
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name2-(4-fluorophenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide
SMILESCOc1ncccc1CN(C)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O3/c1-19(10-12-4-3-9-18-16(12)21-2)15(20)11-22-14-7-5-13(17)6-8-14/h3-9H,10-11H2,1-2H3
InChIKeyMHKCYRDZQBXQDG-UHFFFAOYSA-N
XLogP2.27
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide (CID 53184999) is 2-(4-fluorophenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide is COc1ncccc1CN(C)C(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide?
The InChIKey is MHKCYRDZQBXQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-19(10-12-4-3-9-18-16(12)21-2)15(20)11-22-14-7-5-13(17)6-8-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-(4-fluorophenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide?
2-(4-fluorophenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide has a molecular weight of 304.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide is sourced from PubChem (CID 53184999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).