N,N-diethyl-2-(4-fluorophenoxy)acetamide

C12H16FNO2 — CID 3745804

IUPACN,N-diethyl-2-(4-fluorophenoxy)acetamide
SMILESCCN(CC)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-3-14(4-2)12(15)9-16-11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKeyNMYZAGDXYVWJMX-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.07
Rot. Bonds5

About N,N-diethyl-2-(4-fluorophenoxy)acetamide

N,N-diethyl-2-(4-fluorophenoxy)acetamide (PubChem CID 3745804) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is N,N-diethyl-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-fluorophenoxy)acetamide
PubChem CID3745804
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC NameN,N-diethyl-2-(4-fluorophenoxy)acetamide
SMILESCCN(CC)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-3-14(4-2)12(15)9-16-11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKeyNMYZAGDXYVWJMX-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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 N,N-diethyl-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N,N-diethyl-2-(4-fluorophenoxy)acetamide (CID 3745804) is N,N-diethyl-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-fluorophenoxy)acetamide is CCN(CC)C(=O)COc1ccc(F)cc1.
What is the InChIKey of N,N-diethyl-2-(4-fluorophenoxy)acetamide?
The InChIKey is NMYZAGDXYVWJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-3-14(4-2)12(15)9-16-11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-2-(4-fluorophenoxy)acetamide?
N,N-diethyl-2-(4-fluorophenoxy)acetamide has a molecular weight of 225.26 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 3745804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).