5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide

C12H8BrClFNOS — CID 55086157

IUPAC5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1csc(Br)c1
InChIInChI=1S/C12H8BrClFNOS/c13-11-4-8(6-18-11)12(17)16-5-7-1-2-10(15)9(14)3-7/h1-4,6H,5H2,(H,16,17)
InChIKeyWIWBRFLATFVKHV-UHFFFAOYSA-N
MW348.62 g/mol
LogP4.23
Rot. Bonds3

About 5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide

5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide (PubChem CID 55086157) has the molecular formula C12H8BrClFNOS and a molecular weight of 348.62 g/mol. Its IUPAC name is 5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide
PubChem CID55086157
Molecular FormulaC12H8BrClFNOS
Molecular Weight348.62 g/mol
Exact Mass346.92
IUPAC Name5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1csc(Br)c1
InChIInChI=1S/C12H8BrClFNOS/c13-11-4-8(6-18-11)12(17)16-5-7-1-2-10(15)9(14)3-7/h1-4,6H,5H2,(H,16,17)
InChIKeyWIWBRFLATFVKHV-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.62
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide (CID 55086157) is 5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide?
The InChIKey is WIWBRFLATFVKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNOS/c13-11-4-8(6-18-11)12(17)16-5-7-1-2-10(15)9(14)3-7/h1-4,6H,5H2,(H,16,17).
What are the key properties of 5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide?
5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide has a molecular weight of 348.62 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 55086157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).