N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride

C13H20Cl2FN3O — CID 119872671

IUPACN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride
SMILESCNCC(=O)Nc1c(F)cccc1N1CCCC1.Cl.Cl
InChIInChI=1S/C13H18FN3O.2ClH/c1-15-9-12(18)16-13-10(14)5-4-6-11(13)17-7-2-3-8-17;;/h4-6,15H,2-3,7-9H2,1H3,(H,16,18);2*1H
InChIKeyXOZIWUKPLLGZDP-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.43
Rot. Bonds4

About N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride

N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride (PubChem CID 119872671) has the molecular formula C13H20Cl2FN3O and a molecular weight of 324.23 g/mol. Its IUPAC name is N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride
PubChem CID119872671
Molecular FormulaC13H20Cl2FN3O
Molecular Weight324.23 g/mol
Exact Mass323.10
IUPAC NameN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride
SMILESCNCC(=O)Nc1c(F)cccc1N1CCCC1.Cl.Cl
InChIInChI=1S/C13H18FN3O.2ClH/c1-15-9-12(18)16-13-10(14)5-4-6-11(13)17-7-2-3-8-17;;/h4-6,15H,2-3,7-9H2,1H3,(H,16,18);2*1H
InChIKeyXOZIWUKPLLGZDP-UHFFFAOYSA-N
XLogP2.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride 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

N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide
CID 122133653
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 56580441
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 119872696
4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide
CID 119872678
2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide
CID 56784776
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide
CID 122135045
N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide
CID 56581398
N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704662
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119830300
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150835
2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride?
The IUPAC name of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride (CID 119872671) is N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride.
What is the SMILES notation for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride?
The canonical SMILES for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride is CNCC(=O)Nc1c(F)cccc1N1CCCC1.Cl.Cl.
What is the InChIKey of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride?
The InChIKey is XOZIWUKPLLGZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O.2ClH/c1-15-9-12(18)16-13-10(14)5-4-6-11(13)17-7-2-3-8-17;;/h4-6,15H,2-3,7-9H2,1H3,(H,16,18);2*1H.
What are the key properties of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride?
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride has a molecular weight of 324.23 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride is sourced from PubChem (CID 119872671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).