N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride

C13H16ClFN2OS — CID 119627888

IUPACN-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cc2cc(F)ccc2s1.Cl
InChIInChI=1S/C13H15FN2OS.ClH/c1-13(2,15)7-16-12(17)11-6-8-5-9(14)3-4-10(8)18-11;/h3-6H,7,15H2,1-2H3,(H,16,17);1H
InChIKeySSDPZWMFDILXNB-UHFFFAOYSA-N
MW302.80 g/mol
LogP2.93
Rot. Bonds3

About N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 119627888) has the molecular formula C13H16ClFN2OS and a molecular weight of 302.80 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID119627888
Molecular FormulaC13H16ClFN2OS
Molecular Weight302.80 g/mol
Exact Mass302.07
IUPAC NameN-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cc2cc(F)ccc2s1.Cl
InChIInChI=1S/C13H15FN2OS.ClH/c1-13(2,15)7-16-12(17)11-6-8-5-9(14)3-4-10(8)18-11;/h3-6H,7,15H2,1-2H3,(H,16,17);1H
InChIKeySSDPZWMFDILXNB-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 66170627
5-fluoro-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 18110082
5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide
CID 43391508
5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 120830486
4-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80539107
5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 27259768
5-fluoro-N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43391475
5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 103919162
ethyl 5-fluoro-1-benzothiophene-2-carboxylate
CID 23261724
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)-1-benzothiophene-2-carboxamide
CID 115357836
N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 65109783
5-fluoro-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 55689322

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride (CID 119627888) is N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride is CC(C)(N)CNC(=O)c1cc2cc(F)ccc2s1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is SSDPZWMFDILXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS.ClH/c1-13(2,15)7-16-12(17)11-6-8-5-9(14)3-4-10(8)18-11;/h3-6H,7,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119627888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).