N-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide

C15H15BrFNOS — CID 114312010

IUPACN-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CCCCC1Br)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H15BrFNOS/c16-11-3-1-2-4-12(11)18-15(19)14-7-9-5-6-10(17)8-13(9)20-14/h5-8,11-12H,1-4H2,(H,18,19)
InChIKeyODXSPSYVVABQPB-UHFFFAOYSA-N
MW356.26 g/mol
LogP4.48
Rot. Bonds2

About N-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide

N-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 114312010) has the molecular formula C15H15BrFNOS and a molecular weight of 356.26 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID114312010
Molecular FormulaC15H15BrFNOS
Molecular Weight356.26 g/mol
Exact Mass355.00
IUPAC NameN-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CCCCC1Br)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H15BrFNOS/c16-11-3-1-2-4-12(11)18-15(19)14-7-9-5-6-10(17)8-13(9)20-14/h5-8,11-12H,1-4H2,(H,18,19)
InChIKeyODXSPSYVVABQPB-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 54.48
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 N-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide (CID 114312010) is N-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide is O=C(NC1CCCCC1Br)c1cc2ccc(F)cc2s1.
What is the InChIKey of N-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is ODXSPSYVVABQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNOS/c16-11-3-1-2-4-12(11)18-15(19)14-7-9-5-6-10(17)8-13(9)20-14/h5-8,11-12H,1-4H2,(H,18,19).
What are the key properties of N-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide?
N-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 356.26 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114312010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).