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

C13H17BrClNOS — CID 112551619

IUPAC4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)N(C)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H17BrClNOS/c1-4-10(8-18-3)16(2)13(17)9-5-6-11(14)12(15)7-9/h5-7,10H,4,8H2,1-3H3
InChIKeyJZOXCFGZWDIMPA-UHFFFAOYSA-N
MW350.71 g/mol
LogP4.32
Rot. Bonds5

About 4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide

4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide (PubChem CID 112551619) has the molecular formula C13H17BrClNOS and a molecular weight of 350.71 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
PubChem CID112551619
Molecular FormulaC13H17BrClNOS
Molecular Weight350.71 g/mol
Exact Mass348.99
IUPAC Name4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)N(C)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H17BrClNOS/c1-4-10(8-18-3)16(2)13(17)9-5-6-11(14)12(15)7-9/h5-7,10H,4,8H2,1-3H3
InChIKeyJZOXCFGZWDIMPA-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

4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659238
3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103909933
N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide
CID 107034211
4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 80979921
3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112656391
6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 112551556
4-bromo-3-chloro-N-(1-cyanopropan-2-yl)-N-methylbenzamide
CID 81005730
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-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 79466930
4-bromo-3-chloro-N-(1-cyanoethyl)-N-methylbenzamide
CID 81295295
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 112664138

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide (CID 112551619) is 4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide is CCC(CSC)N(C)C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is JZOXCFGZWDIMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNOS/c1-4-10(8-18-3)16(2)13(17)9-5-6-11(14)12(15)7-9/h5-7,10H,4,8H2,1-3H3.
What are the key properties of 4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
4-bromo-3-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 4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 112551619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).