2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

C19H23FN2OS — CID 78808542

IUPAC2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
SMILESCCN(CC(=O)N1CCCC1c1cccs1)Cc1cccc(F)c1
InChIInChI=1S/C19H23FN2OS/c1-2-21(13-15-6-3-7-16(20)12-15)14-19(23)22-10-4-8-17(22)18-9-5-11-24-18/h3,5-7,9,11-12,17H,2,4,8,10,13-14H2,1H3
InChIKeyFLIJHUGPEACYFY-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.07
Rot. Bonds6

About 2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 78808542) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
PubChem CID78808542
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC Name2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
SMILESCCN(CC(=O)N1CCCC1c1cccs1)Cc1cccc(F)c1
InChIInChI=1S/C19H23FN2OS/c1-2-21(13-15-6-3-7-16(20)12-15)14-19(23)22-10-4-8-17(22)18-9-5-11-24-18/h3,5-7,9,11-12,17H,2,4,8,10,13-14H2,1H3
InChIKeyFLIJHUGPEACYFY-UHFFFAOYSA-N
XLogP4.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone 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

ethyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]acetate
CID 86854600
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 78963103
N-tert-butyl-2-[ethyl-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]acetamide
CID 51199584
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 78808245
2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 55591125
2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-prop-2-enylamino]acetic acid
CID 79270175
2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide
CID 51192387
ethyl 4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butanoate
CID 60637327
ethyl 4-oxo-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butanoate
CID 95358126
2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 87016925
2-(3-fluorophenyl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110750388
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone (CID 78808542) is 2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone is CCN(CC(=O)N1CCCC1c1cccs1)Cc1cccc(F)c1.
What is the InChIKey of 2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is FLIJHUGPEACYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2OS/c1-2-21(13-15-6-3-7-16(20)12-15)14-19(23)22-10-4-8-17(22)18-9-5-11-24-18/h3,5-7,9,11-12,17H,2,4,8,10,13-14H2,1H3.
What are the key properties of 2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 346.47 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 78808542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).