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

C15H16BrFN2OS — CID 42961698

IUPAC3-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-fluorobenzamide
SMILESCN(C)C(CNC(=O)c1cc(F)cc(Br)c1)c1ccsc1
InChIInChI=1S/C15H16BrFN2OS/c1-19(2)14(10-3-4-21-9-10)8-18-15(20)11-5-12(16)7-13(17)6-11/h3-7,9,14H,8H2,1-2H3,(H,18,20)
InChIKeyLYDMUWHIZMRHQD-UHFFFAOYSA-N
MW371.28 g/mol
LogP3.68
Rot. Bonds5

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

3-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-fluorobenzamide (PubChem CID 42961698) 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-3-ylethyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-fluorobenzamide
PubChem CID42961698
Molecular FormulaC15H16BrFN2OS
Molecular Weight371.28 g/mol
Exact Mass370.02
IUPAC Name3-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-fluorobenzamide
SMILESCN(C)C(CNC(=O)c1cc(F)cc(Br)c1)c1ccsc1
InChIInChI=1S/C15H16BrFN2OS/c1-19(2)14(10-3-4-21-9-10)8-18-15(20)11-5-12(16)7-13(17)6-11/h3-7,9,14H,8H2,1-2H3,(H,18,20)
InChIKeyLYDMUWHIZMRHQD-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

CID 16298017
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CID 896320
CID 896320
CID 124089453
CID 124089453
CID 3235762
CID 3235762
CID 3236467
CID 3236467
CID 3236509
CID 3236509
CID 3703057
CID 3703057
CID 16931822
CID 16931822
CID 44335376
CID 44335376
CID 2576487
CID 2576487
CID 2960996
CID 2960996
CID 3156882
CID 3156882

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-fluorobenzamide (CID 42961698) is 3-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-fluorobenzamide is CN(C)C(CNC(=O)c1cc(F)cc(Br)c1)c1ccsc1.
What is the InChIKey of 3-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-fluorobenzamide?
The InChIKey is LYDMUWHIZMRHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2OS/c1-19(2)14(10-3-4-21-9-10)8-18-15(20)11-5-12(16)7-13(17)6-11/h3-7,9,14H,8H2,1-2H3,(H,18,20).
What are the key properties of 3-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-fluorobenzamide?
3-bromo-N-[2-(dimethylamino)-2-thiophen-3-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-3-ylethyl]-5-fluorobenzamide is sourced from PubChem (CID 42961698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).