N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide

C13H18FNO2 — CID 86927380

IUPACN-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
SMILESCCN(C)C(=O)C(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-5-15(4)12(16)13(2,3)17-11-8-6-10(14)7-9-11/h6-9H,5H2,1-4H3
InChIKeyVXVHLEZWXZGUIG-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.46
Rot. Bonds4

About N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide

N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide (PubChem CID 86927380) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
PubChem CID86927380
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
SMILESCCN(C)C(=O)C(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-5-15(4)12(16)13(2,3)17-11-8-6-10(14)7-9-11/h6-9H,5H2,1-4H3
InChIKeyVXVHLEZWXZGUIG-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenoxy)-N-(2-hydroxyethyl)-2-methyl-N-propylpropanamide
CID 60656685
2-(4-fluorophenoxy)-2-methyl-N,N-bis(prop-2-enyl)propanamide
CID 78800718
N-cyclopropyl-2-(4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 78813870
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623
N-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide
CID 78845257
2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide
CID 52892039
3-[2-(4-fluorophenoxy)-2-methylpropanoyl]oxypropyl 2-(4-fluorophenoxy)-2-methylpropanoate
CID 70876323
2-(4-chlorophenoxy)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylpropanamide
CID 8960675
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
CID 86977286
[3-(4-fluorophenoxy)-3-methyl-2-oxobutyl]phosphonic acid
CID 67857363
N-ethyl-N,2-dimethyl-2-phenoxybutanamide
CID 69237958
N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide
CID 156877683

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide?
The IUPAC name of N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide (CID 86927380) is N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide.
What is the SMILES notation for N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide?
The canonical SMILES for N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide is CCN(C)C(=O)C(C)(C)Oc1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide?
The InChIKey is VXVHLEZWXZGUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-5-15(4)12(16)13(2,3)17-11-8-6-10(14)7-9-11/h6-9H,5H2,1-4H3.
What are the key properties of N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide?
N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide has a molecular weight of 239.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide is sourced from PubChem (CID 86927380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).