2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide

C16H18BrFN2OS — CID 154750014

IUPAC2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(C)CCN(Cc1cccs1)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C16H18BrFN2OS/c1-19(2)7-8-20(11-13-4-3-9-22-13)16(21)14-6-5-12(18)10-15(14)17/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyBITSSNXYXOCPQE-UHFFFAOYSA-N
MW385.30 g/mol
LogP3.85
Rot. Bonds6

About 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide

2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 154750014) has the molecular formula C16H18BrFN2OS and a molecular weight of 385.30 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
PubChem CID154750014
Molecular FormulaC16H18BrFN2OS
Molecular Weight385.30 g/mol
Exact Mass384.03
IUPAC Name2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(C)CCN(Cc1cccs1)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C16H18BrFN2OS/c1-19(2)7-8-20(11-13-4-3-9-22-13)16(21)14-6-5-12(18)10-15(14)17/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyBITSSNXYXOCPQE-UHFFFAOYSA-N
XLogP3.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056276
4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 103829573
N-ethyl-2-fluoro-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79770274
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-bromo-4-fluorobenzoate
CID 8837401
N,N-bis(2-amino-2-oxoethyl)-2-bromo-4-fluorobenzamide
CID 55156067
4-fluoro-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 107908041
2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47304230
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 55404837
N-ethyl-2,4-dihydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 103602482
4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036891
2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide
CID 33031977

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide (CID 154750014) is 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide is CN(C)CCN(Cc1cccs1)C(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is BITSSNXYXOCPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2OS/c1-19(2)7-8-20(11-13-4-3-9-22-13)16(21)14-6-5-12(18)10-15(14)17/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide?
2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 385.30 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 154750014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).