N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide

C14H19FN2O — CID 171327633

IUPACN-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CCC(F)C2)c1C
InChIInChI=1S/C14H19FN2O/c1-10-4-3-5-13(11(10)2)16-14(18)9-17-7-6-12(15)8-17/h3-5,12H,6-9H2,1-2H3,(H,16,18)
InChIKeyMEKKKQHJXBAOLK-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.29
Rot. Bonds3

About N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide

N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide (PubChem CID 171327633) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
PubChem CID171327633
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CCC(F)C2)c1C
InChIInChI=1S/C14H19FN2O/c1-10-4-3-5-13(11(10)2)16-14(18)9-17-7-6-12(15)8-17/h3-5,12H,6-9H2,1-2H3,(H,16,18)
InChIKeyMEKKKQHJXBAOLK-UHFFFAOYSA-N
XLogP2.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide 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-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898054
N-(2,3-dimethylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81492808
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 81495718
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
N-(2,3-dimethylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546867
2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55702952
2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 11940393
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171327625
N-(2,3-dimethylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 17407836
N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 134038789

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide (CID 171327633) is N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide is Cc1cccc(NC(=O)CN2CCC(F)C2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide?
The InChIKey is MEKKKQHJXBAOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-4-3-5-13(11(10)2)16-14(18)9-17-7-6-12(15)8-17/h3-5,12H,6-9H2,1-2H3,(H,16,18).
What are the key properties of N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide has a molecular weight of 250.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide is sourced from PubChem (CID 171327633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).