2-bromo-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide

C13H16BrNOS — CID 107299419

IUPAC2-bromo-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
SMILESCSC1(CNC(=O)c2cc(C)ccc2Br)CC1
InChIInChI=1S/C13H16BrNOS/c1-9-3-4-11(14)10(7-9)12(16)15-8-13(17-2)5-6-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyJVTKHAYLQHRVOU-UHFFFAOYSA-N
MW314.25 g/mol
LogP3.38
Rot. Bonds4

About 2-bromo-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide

2-bromo-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide (PubChem CID 107299419) has the molecular formula C13H16BrNOS and a molecular weight of 314.25 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
PubChem CID107299419
Molecular FormulaC13H16BrNOS
Molecular Weight314.25 g/mol
Exact Mass313.01
IUPAC Name2-bromo-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
SMILESCSC1(CNC(=O)c2cc(C)ccc2Br)CC1
InChIInChI=1S/C13H16BrNOS/c1-9-3-4-11(14)10(7-9)12(16)15-8-13(17-2)5-6-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyJVTKHAYLQHRVOU-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 107271664
2-bromo-5-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103773778
2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216
2-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]-5-nitrobenzamide
CID 107271630
5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 107271703
2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)-5-methylbenzamide
CID 113259213
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide
CID 115456399
2-bromo-N-(2-chloropropyl)-5-methylbenzamide
CID 114296737
2-bromo-N-(2,2-difluoroethyl)-5-methylbenzamide
CID 81002658
2-bromo-N-(3-chloropropyl)-5-methylbenzamide
CID 81111537
2-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylbenzamide
CID 103773569
2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide
CID 80987670

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide?
The IUPAC name of 2-bromo-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide (CID 107299419) is 2-bromo-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide is CSC1(CNC(=O)c2cc(C)ccc2Br)CC1.
What is the InChIKey of 2-bromo-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide?
The InChIKey is JVTKHAYLQHRVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNOS/c1-9-3-4-11(14)10(7-9)12(16)15-8-13(17-2)5-6-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-bromo-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide?
2-bromo-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide has a molecular weight of 314.25 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 107299419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).