5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride

C15H18ClFN2OS — CID 119510947

IUPAC5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC2CCCN2)sc2ccc(F)cc12.Cl
InChIInChI=1S/C15H17FN2OS.ClH/c1-9-12-7-10(16)4-5-13(12)20-14(9)15(19)18-8-11-3-2-6-17-11;/h4-5,7,11,17H,2-3,6,8H2,1H3,(H,18,19);1H
InChIKeyJZZCRKLBENYMCX-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.25
Rot. Bonds3

About 5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride

5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 119510947) has the molecular formula C15H18ClFN2OS and a molecular weight of 328.84 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID119510947
Molecular FormulaC15H18ClFN2OS
Molecular Weight328.84 g/mol
Exact Mass328.08
IUPAC Name5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC2CCCN2)sc2ccc(F)cc12.Cl
InChIInChI=1S/C15H17FN2OS.ClH/c1-9-12-7-10(16)4-5-13(12)20-14(9)15(19)18-8-11-3-2-6-17-11;/h4-5,7,11,17H,2-3,6,8H2,1H3,(H,18,19);1H
InChIKeyJZZCRKLBENYMCX-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride 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

5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119512740
5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119460953
5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513769
5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 110902894
2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542167
2-[(4-fluorophenyl)methyl]-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 119510084
5-fluoro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 55182007
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928
5-fluoro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
CID 86828116
2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119514702
3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride
CID 154911098
3-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 62541792

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride (CID 119510947) is 5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride is Cc1c(C(=O)NCC2CCCN2)sc2ccc(F)cc12.Cl.
What is the InChIKey of 5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is JZZCRKLBENYMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS.ClH/c1-9-12-7-10(16)4-5-13(12)20-14(9)15(19)18-8-11-3-2-6-17-11;/h4-5,7,11,17H,2-3,6,8H2,1H3,(H,18,19);1H.
What are the key properties of 5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride?
5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119510947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).