3,6-dichloro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide

C15H8Cl2FNOS — CID 841964

IUPAC3,6-dichloro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C15H8Cl2FNOS/c16-8-4-5-11-12(6-8)21-14(13(11)17)15(20)19-10-3-1-2-9(18)7-10/h1-7H,(H,19,20)
InChIKeyYVJHORJFFNPUMM-UHFFFAOYSA-N
MW340.21 g/mol
LogP5.60
Rot. Bonds2

About 3,6-dichloro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide

3,6-dichloro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide (PubChem CID 841964) has the molecular formula C15H8Cl2FNOS and a molecular weight of 340.21 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide
PubChem CID841964
Molecular FormulaC15H8Cl2FNOS
Molecular Weight340.21 g/mol
Exact Mass338.97
IUPAC Name3,6-dichloro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C15H8Cl2FNOS/c16-8-4-5-11-12(6-8)21-14(13(11)17)15(20)19-10-3-1-2-9(18)7-10/h1-7H,(H,19,20)
InChIKeyYVJHORJFFNPUMM-UHFFFAOYSA-N
XLogP5.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.21
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide (CID 841964) is 3,6-dichloro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1cccc(F)c1)c1sc2cc(Cl)ccc2c1Cl.
What is the InChIKey of 3,6-dichloro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is YVJHORJFFNPUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FNOS/c16-8-4-5-11-12(6-8)21-14(13(11)17)15(20)19-10-3-1-2-9(18)7-10/h1-7H,(H,19,20).
What are the key properties of 3,6-dichloro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 340.21 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 841964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).