3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide

C13H17BrClNOS — CID 103909933

IUPAC3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)N(C)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H17BrClNOS/c1-4-12(8-18-3)16(2)13(17)9-5-10(14)7-11(15)6-9/h5-7,12H,4,8H2,1-3H3
InChIKeyFQGWGJVLABLVQB-UHFFFAOYSA-N
MW350.71 g/mol
LogP4.32
Rot. Bonds5

About 3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide

3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide (PubChem CID 103909933) has the molecular formula C13H17BrClNOS and a molecular weight of 350.71 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
PubChem CID103909933
Molecular FormulaC13H17BrClNOS
Molecular Weight350.71 g/mol
Exact Mass348.99
IUPAC Name3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)N(C)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H17BrClNOS/c1-4-12(8-18-3)16(2)13(17)9-5-10(14)7-11(15)6-9/h5-7,12H,4,8H2,1-3H3
InChIKeyFQGWGJVLABLVQB-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.71
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103827012
4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551619
3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 103826716
4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659238
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 112551556
N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide
CID 107034211
3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide
CID 107952071
3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 103826959
4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659645
2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551572
3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112656391

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide (CID 103909933) is 3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide is CCC(CSC)N(C)C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is FQGWGJVLABLVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNOS/c1-4-12(8-18-3)16(2)13(17)9-5-10(14)7-11(15)6-9/h5-7,12H,4,8H2,1-3H3.
What are the key properties of 3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide has a molecular weight of 350.71 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 103909933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).