2-(4-cyano-2-methoxyphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide

C18H17FN2O3 — CID 2529642

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O3/c1-21(11-13-3-6-15(19)7-4-13)18(22)12-24-16-8-5-14(10-20)9-17(16)23-2/h3-9H,11-12H2,1-2H3
InChIKeyWTROAFLPBNIRMP-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.74
Rot. Bonds6

About 2-(4-cyano-2-methoxyphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide

2-(4-cyano-2-methoxyphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 2529642) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
PubChem CID2529642
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O3/c1-21(11-13-3-6-15(19)7-4-13)18(22)12-24-16-8-5-14(10-20)9-17(16)23-2/h3-9H,11-12H2,1-2H3
InChIKeyWTROAFLPBNIRMP-UHFFFAOYSA-N
XLogP2.74
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide (CID 2529642) is 2-(4-cyano-2-methoxyphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide is COc1cc(C#N)ccc1OCC(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is WTROAFLPBNIRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-21(11-13-3-6-15(19)7-4-13)18(22)12-24-16-8-5-14(10-20)9-17(16)23-2/h3-9H,11-12H2,1-2H3.
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
2-(4-cyano-2-methoxyphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 328.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 2529642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).