3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide

C12H9ClFNOS — CID 2329285

IUPAC3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CC1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C12H9ClFNOS/c13-10-8-4-1-6(14)5-9(8)17-11(10)12(16)15-7-2-3-7/h1,4-5,7H,2-3H2,(H,15,16)
InChIKeyIVTWRUVEMNPXEE-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.59
Rot. Bonds2

About 3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide

3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 2329285) has the molecular formula C12H9ClFNOS and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID2329285
Molecular FormulaC12H9ClFNOS
Molecular Weight269.73 g/mol
Exact Mass269.01
IUPAC Name3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CC1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C12H9ClFNOS/c13-10-8-4-1-6(14)5-9(8)17-11(10)12(16)15-7-2-3-7/h1,4-5,7H,2-3H2,(H,15,16)
InChIKeyIVTWRUVEMNPXEE-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide (CID 2329285) is 3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide is O=C(NC1CC1)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of 3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is IVTWRUVEMNPXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNOS/c13-10-8-4-1-6(14)5-9(8)17-11(10)12(16)15-7-2-3-7/h1,4-5,7H,2-3H2,(H,15,16).
What are the key properties of 3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide?
3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2329285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).