5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide

C14H13BrClNOS — CID 79036874

IUPAC5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(CCc1cccs1)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H13BrClNOS/c1-17(7-6-11-3-2-8-19-11)14(18)12-9-10(15)4-5-13(12)16/h2-5,8-9H,6-7H2,1H3
InChIKeyRKQZYHIOIKPPGG-UHFFFAOYSA-N
MW358.69 g/mol
LogP4.48
Rot. Bonds4

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

5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 79036874) has the molecular formula C14H13BrClNOS and a molecular weight of 358.69 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID79036874
Molecular FormulaC14H13BrClNOS
Molecular Weight358.69 g/mol
Exact Mass356.96
IUPAC Name5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(CCc1cccs1)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H13BrClNOS/c1-17(7-6-11-3-2-8-19-11)14(18)12-9-10(15)4-5-13(12)16/h2-5,8-9H,6-7H2,1H3
InChIKeyRKQZYHIOIKPPGG-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.69
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036891
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 27770225
3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 114038532
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82833096
3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 79036876
4-bromo-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 47435985
5-bromo-N-butyl-2-chloro-N-methylbenzamide
CID 60653969
4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 79036710
5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79489207
N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107032184
2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036837

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide (CID 79036874) is 5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide is CN(CCc1cccs1)C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is RKQZYHIOIKPPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNOS/c1-17(7-6-11-3-2-8-19-11)14(18)12-9-10(15)4-5-13(12)16/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 358.69 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 79036874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).