N-ethyl-N-[2-(2-fluorophenyl)-2-(methylamino)ethyl]acetamide

C13H19FN2O — CID 145342139

IUPACN-ethyl-N-[2-(2-fluorophenyl)-2-(methylamino)ethyl]acetamide
SMILESCCN(CC(NC)c1ccccc1F)C(C)=O
InChIInChI=1S/C13H19FN2O/c1-4-16(10(2)17)9-13(15-3)11-7-5-6-8-12(11)14/h5-8,13,15H,4,9H2,1-3H3
InChIKeyUIRDMJRDAIBKJO-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.95
Rot. Bonds5

About N-ethyl-N-[2-(2-fluorophenyl)-2-(methylamino)ethyl]acetamide

N-ethyl-N-[2-(2-fluorophenyl)-2-(methylamino)ethyl]acetamide (PubChem CID 145342139) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-fluorophenyl)-2-(methylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-fluorophenyl)-2-(methylamino)ethyl]acetamide
PubChem CID145342139
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-ethyl-N-[2-(2-fluorophenyl)-2-(methylamino)ethyl]acetamide
SMILESCCN(CC(NC)c1ccccc1F)C(C)=O
InChIInChI=1S/C13H19FN2O/c1-4-16(10(2)17)9-13(15-3)11-7-5-6-8-12(11)14/h5-8,13,15H,4,9H2,1-3H3
InChIKeyUIRDMJRDAIBKJO-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-fluorophenyl)-2-(methylamino)ethyl]acetamide?
The IUPAC name of N-ethyl-N-[2-(2-fluorophenyl)-2-(methylamino)ethyl]acetamide (CID 145342139) is N-ethyl-N-[2-(2-fluorophenyl)-2-(methylamino)ethyl]acetamide.
What is the SMILES notation for N-ethyl-N-[2-(2-fluorophenyl)-2-(methylamino)ethyl]acetamide?
The canonical SMILES for N-ethyl-N-[2-(2-fluorophenyl)-2-(methylamino)ethyl]acetamide is CCN(CC(NC)c1ccccc1F)C(C)=O.
What is the InChIKey of N-ethyl-N-[2-(2-fluorophenyl)-2-(methylamino)ethyl]acetamide?
The InChIKey is UIRDMJRDAIBKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-4-16(10(2)17)9-13(15-3)11-7-5-6-8-12(11)14/h5-8,13,15H,4,9H2,1-3H3.
What are the key properties of N-ethyl-N-[2-(2-fluorophenyl)-2-(methylamino)ethyl]acetamide?
N-ethyl-N-[2-(2-fluorophenyl)-2-(methylamino)ethyl]acetamide has a molecular weight of 238.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-fluorophenyl)-2-(methylamino)ethyl]acetamide is sourced from PubChem (CID 145342139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).