N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide

C13H17FN2O — CID 114254707

IUPACN-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide
SMILESCc1cccc(NC(=O)CC2CCNC2)c1F
InChIInChI=1S/C13H17FN2O/c1-9-3-2-4-11(13(9)14)16-12(17)7-10-5-6-15-8-10/h2-4,10,15H,5-8H2,1H3,(H,16,17)
InChIKeyMZQXFDSNMLVXFB-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.07
Rot. Bonds3

About N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide

N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide (PubChem CID 114254707) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide
PubChem CID114254707
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide
SMILESCc1cccc(NC(=O)CC2CCNC2)c1F
InChIInChI=1S/C13H17FN2O/c1-9-3-2-4-11(13(9)14)16-12(17)7-10-5-6-15-8-10/h2-4,10,15H,5-8H2,1H3,(H,16,17)
InChIKeyMZQXFDSNMLVXFB-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide 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-hydroxy-3-methylphenyl)-2-piperidin-4-ylacetamide
CID 79602863
2-(azetidin-3-yl)-N-(2-methylphenyl)acetamide
CID 64615932
N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 107600000
2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107641614
N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 114050904
N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide
CID 81494966
2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 64617943
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
CID 79607846
N-(2-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62210327
N-(2,3-dichlorophenyl)-2-piperidin-3-ylacetamide
CID 62675229
N-(2-iodophenyl)-2-piperidin-3-ylacetamide
CID 62676298
N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
CID 54910115

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide (CID 114254707) is N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide is Cc1cccc(NC(=O)CC2CCNC2)c1F.
What is the InChIKey of N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide?
The InChIKey is MZQXFDSNMLVXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-3-2-4-11(13(9)14)16-12(17)7-10-5-6-15-8-10/h2-4,10,15H,5-8H2,1H3,(H,16,17).
What are the key properties of N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide?
N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide has a molecular weight of 236.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 114254707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).