4-fluoro-N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

C18H15F2NO2S — CID 7669173

IUPAC4-fluoro-N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)NCc2ccc(F)cc2)sc2cccc(F)c12
InChIInChI=1S/C18H15F2NO2S/c1-23-10-13-16-14(20)3-2-4-15(16)24-17(13)18(22)21-9-11-5-7-12(19)8-6-11/h2-8H,9-10H2,1H3,(H,21,22)
InChIKeySAXIALLYPPAWMG-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.26
Rot. Bonds5

About 4-fluoro-N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

4-fluoro-N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide (PubChem CID 7669173) has the molecular formula C18H15F2NO2S and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-fluoro-N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
PubChem CID7669173
Molecular FormulaC18H15F2NO2S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Name4-fluoro-N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)NCc2ccc(F)cc2)sc2cccc(F)c12
InChIInChI=1S/C18H15F2NO2S/c1-23-10-13-16-14(20)3-2-4-15(16)24-17(13)18(22)21-9-11-5-7-12(19)8-6-11/h2-8H,9-10H2,1H3,(H,21,22)
InChIKeySAXIALLYPPAWMG-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide (CID 7669173) is 4-fluoro-N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide is COCc1c(C(=O)NCc2ccc(F)cc2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is SAXIALLYPPAWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO2S/c1-23-10-13-16-14(20)3-2-4-15(16)24-17(13)18(22)21-9-11-5-7-12(19)8-6-11/h2-8H,9-10H2,1H3,(H,21,22).
What are the key properties of 4-fluoro-N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
4-fluoro-N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 7669173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).