3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide

C11H8BrFN2OS — CID 107596209

IUPAC3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C11H8BrFN2OS/c12-6-2-1-3-7(13)9(6)15-11(16)10-8(14)4-5-17-10/h1-5H,14H2,(H,15,16)
InChIKeyKHHFHEMVEYIBDJ-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.48
Rot. Bonds2

About 3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide

3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide (PubChem CID 107596209) has the molecular formula C11H8BrFN2OS and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide
PubChem CID107596209
Molecular FormulaC11H8BrFN2OS
Molecular Weight315.17 g/mol
Exact Mass313.95
IUPAC Name3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C11H8BrFN2OS/c12-6-2-1-3-7(13)9(6)15-11(16)10-8(14)4-5-17-10/h1-5H,14H2,(H,15,16)
InChIKeyKHHFHEMVEYIBDJ-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596264
2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide
CID 107596162
3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596194
3-amino-N-(2,6-diethylphenyl)thiophene-2-carboxamide
CID 61091035
N-(2-bromo-6-fluorophenyl)-2,3-difluorobenzamide
CID 103741269
3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 107596191
3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide
CID 107596229
6-amino-N-(2-bromo-6-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 107596239
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284
5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide
CID 107603346
4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 107605084

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide (CID 107596209) is 3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide is Nc1ccsc1C(=O)Nc1c(F)cccc1Br.
What is the InChIKey of 3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is KHHFHEMVEYIBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2OS/c12-6-2-1-3-7(13)9(6)15-11(16)10-8(14)4-5-17-10/h1-5H,14H2,(H,15,16).
What are the key properties of 3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide?
3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 315.17 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 107596209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).