N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(methylamino)acetamide

C12H17FN2O2 — CID 43709613

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-8(15-12(16)7-14-2)9-4-5-11(17-3)10(13)6-9/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyYAAGZWLTGVTYGH-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.23
Rot. Bonds5

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(methylamino)acetamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(methylamino)acetamide (PubChem CID 43709613) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(methylamino)acetamide
PubChem CID43709613
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-8(15-12(16)7-14-2)9-4-5-11(17-3)10(13)6-9/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyYAAGZWLTGVTYGH-UHFFFAOYSA-N
XLogP1.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(methylamino)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(methylamino)acetamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(methylamino)acetamide (CID 43709613) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(methylamino)acetamide is CNCC(=O)NC(C)c1ccc(OC)c(F)c1.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(methylamino)acetamide?
The InChIKey is YAAGZWLTGVTYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(15-12(16)7-14-2)9-4-5-11(17-3)10(13)6-9/h4-6,8,14H,7H2,1-3H3,(H,15,16).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(methylamino)acetamide?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(methylamino)acetamide has a molecular weight of 240.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(methylamino)acetamide is sourced from PubChem (CID 43709613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).