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

C12H9BrFNOS — CID 63799890

IUPAC3-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1sccc1Br)c1cccc(F)c1
InChIInChI=1S/C12H9BrFNOS/c1-15(9-4-2-3-8(14)7-9)12(16)11-10(13)5-6-17-11/h2-7H,1H3
InChIKeyNBPAVCCIGFGVBO-UHFFFAOYSA-N
MW314.18 g/mol
LogP3.93
Rot. Bonds2

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

3-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide (PubChem CID 63799890) has the molecular formula C12H9BrFNOS and a molecular weight of 314.18 g/mol. Its IUPAC name is 3-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide
PubChem CID63799890
Molecular FormulaC12H9BrFNOS
Molecular Weight314.18 g/mol
Exact Mass312.96
IUPAC Name3-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1sccc1Br)c1cccc(F)c1
InChIInChI=1S/C12H9BrFNOS/c1-15(9-4-2-3-8(14)7-9)12(16)11-10(13)5-6-17-11/h2-7H,1H3
InChIKeyNBPAVCCIGFGVBO-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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Related Compounds

3-bromo-N-methyl-N-(3-nitrophenyl)thiophene-2-carboxamide
CID 166434950
3-bromo-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylthiophene-2-carboxamide
CID 76932721
2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide
CID 81003545
1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 62050577
3-bromo-N-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide
CID 60778208
2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide
CID 79722420
5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80619043
2-fluoro-N-(3-fluorophenyl)-6-hydroxy-N-methylbenzamide
CID 104918220
2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide
CID 107075081
2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66390308
2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide
CID 114037685
3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide
CID 18545673

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide (CID 63799890) is 3-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide is CN(C(=O)c1sccc1Br)c1cccc(F)c1.
What is the InChIKey of 3-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is NBPAVCCIGFGVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNOS/c1-15(9-4-2-3-8(14)7-9)12(16)11-10(13)5-6-17-11/h2-7H,1H3.
What are the key properties of 3-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide?
3-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 3-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 63799890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).