5-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide

C12H9BrFNOS — CID 22605255

IUPAC5-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)s1)c1cccc(F)c1
InChIInChI=1S/C12H9BrFNOS/c1-15(9-4-2-3-8(14)7-9)12(16)10-5-6-11(13)17-10/h2-7H,1H3
InChIKeyNOJHVJGRXRRBCO-UHFFFAOYSA-N
MW314.18 g/mol
LogP3.93
Rot. Bonds2

About 5-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide

5-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide (PubChem CID 22605255) has the molecular formula C12H9BrFNOS and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide
PubChem CID22605255
Molecular FormulaC12H9BrFNOS
Molecular Weight314.18 g/mol
Exact Mass312.96
IUPAC Name5-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)s1)c1cccc(F)c1
InChIInChI=1S/C12H9BrFNOS/c1-15(9-4-2-3-8(14)7-9)12(16)10-5-6-11(13)17-10/h2-7H,1H3
InChIKeyNOJHVJGRXRRBCO-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide (CID 22605255) is 5-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide is CN(C(=O)c1ccc(Br)s1)c1cccc(F)c1.
What is the InChIKey of 5-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is NOJHVJGRXRRBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNOS/c1-15(9-4-2-3-8(14)7-9)12(16)10-5-6-11(13)17-10/h2-7H,1H3.
What are the key properties of 5-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide?
5-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 22605255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).