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

C14H15ClFNOS — CID 2352165

IUPAC3-chloro-6-fluoro-N-pentyl-1-benzothiophene-2-carboxamide
SMILESCCCCCNC(=O)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C14H15ClFNOS/c1-2-3-4-7-17-14(18)13-12(15)10-6-5-9(16)8-11(10)19-13/h5-6,8H,2-4,7H2,1H3,(H,17,18)
InChIKeyXYZJLXZXLMOMHA-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.61
Rot. Bonds5

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

3-chloro-6-fluoro-N-pentyl-1-benzothiophene-2-carboxamide (PubChem CID 2352165) has the molecular formula C14H15ClFNOS and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-chloro-6-fluoro-N-pentyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-fluoro-N-pentyl-1-benzothiophene-2-carboxamide
PubChem CID2352165
Molecular FormulaC14H15ClFNOS
Molecular Weight299.80 g/mol
Exact Mass299.05
IUPAC Name3-chloro-6-fluoro-N-pentyl-1-benzothiophene-2-carboxamide
SMILESCCCCCNC(=O)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C14H15ClFNOS/c1-2-3-4-7-17-14(18)13-12(15)10-6-5-9(16)8-11(10)19-13/h5-6,8H,2-4,7H2,1H3,(H,17,18)
InChIKeyXYZJLXZXLMOMHA-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-N-pentyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-fluoro-N-pentyl-1-benzothiophene-2-carboxamide (CID 2352165) is 3-chloro-6-fluoro-N-pentyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-fluoro-N-pentyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-fluoro-N-pentyl-1-benzothiophene-2-carboxamide is CCCCCNC(=O)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of 3-chloro-6-fluoro-N-pentyl-1-benzothiophene-2-carboxamide?
The InChIKey is XYZJLXZXLMOMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNOS/c1-2-3-4-7-17-14(18)13-12(15)10-6-5-9(16)8-11(10)19-13/h5-6,8H,2-4,7H2,1H3,(H,17,18).
What are the key properties of 3-chloro-6-fluoro-N-pentyl-1-benzothiophene-2-carboxamide?
3-chloro-6-fluoro-N-pentyl-1-benzothiophene-2-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-N-pentyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2352165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).