5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride

C13H16ClFN2OS — CID 120830486

IUPAC5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc2cc(F)ccc2s1.Cl
InChIInChI=1S/C13H15FN2OS.ClH/c1-8(15-2)7-16-13(17)12-6-9-5-10(14)3-4-11(9)18-12;/h3-6,8,15H,7H2,1-2H3,(H,16,17);1H
InChIKeyQRGLHVHUVNCQFM-UHFFFAOYSA-N
MW302.80 g/mol
LogP2.80
Rot. Bonds4

About 5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride

5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 120830486) has the molecular formula C13H16ClFN2OS and a molecular weight of 302.80 g/mol. Its IUPAC name is 5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID120830486
Molecular FormulaC13H16ClFN2OS
Molecular Weight302.80 g/mol
Exact Mass302.07
IUPAC Name5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc2cc(F)ccc2s1.Cl
InChIInChI=1S/C13H15FN2OS.ClH/c1-8(15-2)7-16-13(17)12-6-9-5-10(14)3-4-11(9)18-12;/h3-6,8,15H,7H2,1-2H3,(H,16,17);1H
InChIKeyQRGLHVHUVNCQFM-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119627888
4-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80539107
5-fluoro-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 18110082
6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 29205600
5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 27259768
2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356
(2S)-2-[[2-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695280
N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 66170627
5-fluoro-N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43391475
5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 103919162
N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 107157762
5-fluoro-2-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512684

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride (CID 120830486) is 5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride is CNC(C)CNC(=O)c1cc2cc(F)ccc2s1.Cl.
What is the InChIKey of 5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is QRGLHVHUVNCQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS.ClH/c1-8(15-2)7-16-13(17)12-6-9-5-10(14)3-4-11(9)18-12;/h3-6,8,15H,7H2,1-2H3,(H,16,17);1H.
What are the key properties of 5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride?
5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120830486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).