3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide

C15H16BrFN2OS — CID 55713696

IUPAC3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide
SMILESCN(C)C(CNC(=O)c1cc(F)cc(Br)c1)c1cccs1
InChIInChI=1S/C15H16BrFN2OS/c1-19(2)13(14-4-3-5-21-14)9-18-15(20)10-6-11(16)8-12(17)7-10/h3-8,13H,9H2,1-2H3,(H,18,20)
InChIKeyHSIRWRDPCYPTEM-UHFFFAOYSA-N
MW371.28 g/mol
LogP3.68
Rot. Bonds5

About 3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide

3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide (PubChem CID 55713696) has the molecular formula C15H16BrFN2OS and a molecular weight of 371.28 g/mol. Its IUPAC name is 3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide
PubChem CID55713696
Molecular FormulaC15H16BrFN2OS
Molecular Weight371.28 g/mol
Exact Mass370.02
IUPAC Name3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide
SMILESCN(C)C(CNC(=O)c1cc(F)cc(Br)c1)c1cccs1
InChIInChI=1S/C15H16BrFN2OS/c1-19(2)13(14-4-3-5-21-14)9-18-15(20)10-6-11(16)8-12(17)7-10/h3-8,13H,9H2,1-2H3,(H,18,20)
InChIKeyHSIRWRDPCYPTEM-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
CID 18161860
3-bromo-4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 103841422
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluoro-3-methylbenzamide
CID 63213496
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 8504392
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 18161816
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide
CID 8504424
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307
4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 18161921
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3,5-difluorobenzamide
CID 7897282
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
CID 9462806

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide (CID 55713696) is 3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide is CN(C)C(CNC(=O)c1cc(F)cc(Br)c1)c1cccs1.
What is the InChIKey of 3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide?
The InChIKey is HSIRWRDPCYPTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2OS/c1-19(2)13(14-4-3-5-21-14)9-18-15(20)10-6-11(16)8-12(17)7-10/h3-8,13H,9H2,1-2H3,(H,18,20).
What are the key properties of 3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide?
3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide has a molecular weight of 371.28 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide is sourced from PubChem (CID 55713696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).