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

C13H17BrClNOS — CID 103765320

IUPAC2-bromo-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
SMILESCSCCC(C)N(C)C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H17BrClNOS/c1-9(6-7-18-3)16(2)13(17)11-5-4-10(15)8-12(11)14/h4-5,8-9H,6-7H2,1-3H3
InChIKeyRQQFBKJVYWJCIL-UHFFFAOYSA-N
MW350.71 g/mol
LogP4.32
Rot. Bonds5

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

2-bromo-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide (PubChem CID 103765320) has the molecular formula C13H17BrClNOS and a molecular weight of 350.71 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
PubChem CID103765320
Molecular FormulaC13H17BrClNOS
Molecular Weight350.71 g/mol
Exact Mass348.99
IUPAC Name2-bromo-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
SMILESCSCCC(C)N(C)C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H17BrClNOS/c1-9(6-7-18-3)16(2)13(17)11-5-4-10(15)8-12(11)14/h4-5,8-9H,6-7H2,1-3H3
InChIKeyRQQFBKJVYWJCIL-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-4-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 103707593
2-[(2-bromo-4-chlorobenzoyl)-methylamino]butanoic acid
CID 107986601
1-(2-bromo-4-chlorophenyl)-3-methylsulfanylpropan-1-one
CID 107988698
3-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 115667187
2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946
4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 115869170
3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 113461448
2,4-dibromo-N-butan-2-yl-N-methylbenzamide
CID 103883121
4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 54942659
6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 115669895
2-bromo-N-(3-bromopropyl)-4-chloro-N-propan-2-ylbenzamide
CID 114025198
3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 113366826

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide (CID 103765320) is 2-bromo-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide is CSCCC(C)N(C)C(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is RQQFBKJVYWJCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNOS/c1-9(6-7-18-3)16(2)13(17)11-5-4-10(15)8-12(11)14/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 2-bromo-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide?
2-bromo-4-chloro-N-methyl-N-(4-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 2-bromo-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 103765320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).