5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide

C14H13BrFNOS — CID 60698580

IUPAC5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(c1cccs1)N(C)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C14H13BrFNOS/c1-9(13-4-3-7-19-13)17(2)14(18)11-8-10(15)5-6-12(11)16/h3-9H,1-2H3
InChIKeyATCGGUFBYRORCU-UHFFFAOYSA-N
MW342.23 g/mol
LogP4.48
Rot. Bonds3

About 5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide

5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 60698580) has the molecular formula C14H13BrFNOS and a molecular weight of 342.23 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID60698580
Molecular FormulaC14H13BrFNOS
Molecular Weight342.23 g/mol
Exact Mass340.99
IUPAC Name5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(c1cccs1)N(C)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C14H13BrFNOS/c1-9(13-4-3-7-19-13)17(2)14(18)11-8-10(15)5-6-12(11)16/h3-9H,1-2H3
InChIKeyATCGGUFBYRORCU-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 61109023
2-fluoro-4-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 103605936
5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 43397649
2-amino-4-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 63110194
5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765072
2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide
CID 106853561
2-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 134796514
5-amino-2-(dimethylamino)-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 61110537
3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 113329880
4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 54878069
5-bromo-2-fluorobenzoic acid;5-bromo-2-fluoro-N,N-dimethylbenzamide
CID 158616981
3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61110711

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide (CID 60698580) is 5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide is CC(c1cccs1)N(C)C(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is ATCGGUFBYRORCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNOS/c1-9(13-4-3-7-19-13)17(2)14(18)11-8-10(15)5-6-12(11)16/h3-9H,1-2H3.
What are the key properties of 5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 342.23 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 60698580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).