2-(4-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide

C12H16FNO2 — CID 60666699

IUPAC2-(4-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-9(2)14(3)12(15)8-16-11-6-4-10(13)5-7-11/h4-7,9H,8H2,1-3H3
InChIKeyIGTQVHQLOGEDMF-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.07
Rot. Bonds4

About 2-(4-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide

2-(4-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide (PubChem CID 60666699) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide
PubChem CID60666699
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-(4-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-9(2)14(3)12(15)8-16-11-6-4-10(13)5-7-11/h4-7,9H,8H2,1-3H3
InChIKeyIGTQVHQLOGEDMF-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide (CID 60666699) is 2-(4-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is IGTQVHQLOGEDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9(2)14(3)12(15)8-16-11-6-4-10(13)5-7-11/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-(4-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide?
2-(4-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 225.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 60666699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).