3-(1-benzothiophen-7-yl)-2-chloropropanamide

C11H10ClNOS — CID 130770729

IUPAC3-(1-benzothiophen-7-yl)-2-chloropropanamide
SMILESNC(=O)C(Cl)Cc1cccc2ccsc12
InChIInChI=1S/C11H10ClNOS/c12-9(11(13)14)6-8-3-1-2-7-4-5-15-10(7)8/h1-5,9H,6H2,(H2,13,14)
InChIKeySHJSOHXTOIXKNR-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.54
Rot. Bonds3

About 3-(1-benzothiophen-7-yl)-2-chloropropanamide

3-(1-benzothiophen-7-yl)-2-chloropropanamide (PubChem CID 130770729) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is 3-(1-benzothiophen-7-yl)-2-chloropropanamide.

Molecular Properties

Compound Name3-(1-benzothiophen-7-yl)-2-chloropropanamide
PubChem CID130770729
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name3-(1-benzothiophen-7-yl)-2-chloropropanamide
SMILESNC(=O)C(Cl)Cc1cccc2ccsc12
InChIInChI=1S/C11H10ClNOS/c12-9(11(13)14)6-8-3-1-2-7-4-5-15-10(7)8/h1-5,9H,6H2,(H2,13,14)
InChIKeySHJSOHXTOIXKNR-UHFFFAOYSA-N
XLogP2.54
TPSA43.09 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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-7-yl)-2-chloropropanamide?
The IUPAC name of 3-(1-benzothiophen-7-yl)-2-chloropropanamide (CID 130770729) is 3-(1-benzothiophen-7-yl)-2-chloropropanamide.
What is the SMILES notation for 3-(1-benzothiophen-7-yl)-2-chloropropanamide?
The canonical SMILES for 3-(1-benzothiophen-7-yl)-2-chloropropanamide is NC(=O)C(Cl)Cc1cccc2ccsc12.
What is the InChIKey of 3-(1-benzothiophen-7-yl)-2-chloropropanamide?
The InChIKey is SHJSOHXTOIXKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c12-9(11(13)14)6-8-3-1-2-7-4-5-15-10(7)8/h1-5,9H,6H2,(H2,13,14).
What are the key properties of 3-(1-benzothiophen-7-yl)-2-chloropropanamide?
3-(1-benzothiophen-7-yl)-2-chloropropanamide has a molecular weight of 239.73 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-7-yl)-2-chloropropanamide is sourced from PubChem (CID 130770729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).