N-(2-chloroethyl)-1-benzothiophene-7-carboxamide

C11H10ClNOS — CID 130770736

IUPACN-(2-chloroethyl)-1-benzothiophene-7-carboxamide
SMILESO=C(NCCCl)c1cccc2ccsc12
InChIInChI=1S/C11H10ClNOS/c12-5-6-13-11(14)9-3-1-2-8-4-7-15-10(8)9/h1-4,7H,5-6H2,(H,13,14)
InChIKeyMZWLLCVYISYIJD-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.87
Rot. Bonds3

About N-(2-chloroethyl)-1-benzothiophene-7-carboxamide

N-(2-chloroethyl)-1-benzothiophene-7-carboxamide (PubChem CID 130770736) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-1-benzothiophene-7-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-1-benzothiophene-7-carboxamide
PubChem CID130770736
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC NameN-(2-chloroethyl)-1-benzothiophene-7-carboxamide
SMILESO=C(NCCCl)c1cccc2ccsc12
InChIInChI=1S/C11H10ClNOS/c12-5-6-13-11(14)9-3-1-2-8-4-7-15-10(8)9/h1-4,7H,5-6H2,(H,13,14)
InChIKeyMZWLLCVYISYIJD-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738
1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone
CID 116562808
2-bromo-N-(2-chloroethyl)benzamide
CID 12793324
1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone
CID 115791052
1-benzothiophen-7-yl-(2-fluorophenyl)methanone
CID 81152936
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120
1-(1-benzothiophen-7-yl)-2-methylpropan-1-one
CID 81153250
N-[(1S,3R)-3-[[2-(dimethylamino)acetyl]amino]cyclopentyl]-1-benzothiophene-7-carboxamide
CID 167883956
N-[[1-(3-hydroxypropyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-7-carboxamide
CID 139013451
1-(1-benzothiophen-7-yl)-2-(diethylamino)-2-methylpropan-1-one
CID 81152756
1-(1-benzothiophen-7-yl)-2-methylsulfonylethanone
CID 115791050
1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone
CID 81154198

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-1-benzothiophene-7-carboxamide?
The IUPAC name of N-(2-chloroethyl)-1-benzothiophene-7-carboxamide (CID 130770736) is N-(2-chloroethyl)-1-benzothiophene-7-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-1-benzothiophene-7-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-1-benzothiophene-7-carboxamide is O=C(NCCCl)c1cccc2ccsc12.
What is the InChIKey of N-(2-chloroethyl)-1-benzothiophene-7-carboxamide?
The InChIKey is MZWLLCVYISYIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c12-5-6-13-11(14)9-3-1-2-8-4-7-15-10(8)9/h1-4,7H,5-6H2,(H,13,14).
What are the key properties of N-(2-chloroethyl)-1-benzothiophene-7-carboxamide?
N-(2-chloroethyl)-1-benzothiophene-7-carboxamide has a molecular weight of 239.73 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1-benzothiophene-7-carboxamide is sourced from PubChem (CID 130770736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).