5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide

C14H13BrFNOS — CID 86832629

IUPAC5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide
SMILESCN(CCc1ccc(F)cc1)C(=O)c1csc(Br)c1
InChIInChI=1S/C14H13BrFNOS/c1-17(14(18)11-8-13(15)19-9-11)7-6-10-2-4-12(16)5-3-10/h2-5,8-9H,6-7H2,1H3
InChIKeyDLLLJVACPHTTDO-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.96
Rot. Bonds4

About 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide

5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide (PubChem CID 86832629) has the molecular formula C14H13BrFNOS and a molecular weight of 342.23 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide
PubChem CID86832629
Molecular FormulaC14H13BrFNOS
Molecular Weight342.23 g/mol
Exact Mass340.99
IUPAC Name5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide
SMILESCN(CCc1ccc(F)cc1)C(=O)c1csc(Br)c1
InChIInChI=1S/C14H13BrFNOS/c1-17(14(18)11-8-13(15)19-9-11)7-6-10-2-4-12(16)5-3-10/h2-5,8-9H,6-7H2,1H3
InChIKeyDLLLJVACPHTTDO-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 86601000
5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735624
5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
CID 78924793
5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide
CID 107966303
5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 38362636
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735669
5-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735666
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylthiophene-3-carboxamide
CID 60735731
4-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(4-fluorophenyl)butan-1-one
CID 62035991
5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide
CID 62861189
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide
CID 63866512
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide
CID 62053997

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide (CID 86832629) is 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide is CN(CCc1ccc(F)cc1)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide?
The InChIKey is DLLLJVACPHTTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNOS/c1-17(14(18)11-8-13(15)19-9-11)7-6-10-2-4-12(16)5-3-10/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide?
5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide has a molecular weight of 342.23 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 86832629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).