2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide

C18H21FN2O2 — CID 8729751

IUPAC2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CCOc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-14-7-9-15(10-8-14)20-18(22)13-21(2)11-12-23-17-6-4-3-5-16(17)19/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyGFWWTIHOLQVFDD-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.08
Rot. Bonds7

About 2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide

2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 8729751) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID8729751
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CCOc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-14-7-9-15(10-8-14)20-18(22)13-21(2)11-12-23-17-6-4-3-5-16(17)19/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyGFWWTIHOLQVFDD-UHFFFAOYSA-N
XLogP3.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253551
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 9222182
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 55432275
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(2-phenoxyphenyl)acetamide
CID 26386856
2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729750
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
N-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 26387602
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 18136161
2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 47075327
N-(4-fluorophenyl)-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]acetamide
CID 8797411
N-(4-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8785343
N-(2-fluorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 78898101

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide (CID 8729751) is 2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CCOc2ccccc2F)cc1.
What is the InChIKey of 2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is GFWWTIHOLQVFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-14-7-9-15(10-8-14)20-18(22)13-21(2)11-12-23-17-6-4-3-5-16(17)19/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide?
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 316.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8729751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).