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

C12H15BrClNOS — CID 103827012

IUPAC3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)N(C)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H15BrClNOS/c1-8(7-17-3)15(2)12(16)9-4-10(13)6-11(14)5-9/h4-6,8H,7H2,1-3H3
InChIKeySLVWCTPTEKIGOZ-UHFFFAOYSA-N
MW336.68 g/mol
LogP3.93
Rot. Bonds4

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

3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide (PubChem CID 103827012) has the molecular formula C12H15BrClNOS and a molecular weight of 336.68 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
PubChem CID103827012
Molecular FormulaC12H15BrClNOS
Molecular Weight336.68 g/mol
Exact Mass334.97
IUPAC Name3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)N(C)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H15BrClNOS/c1-8(7-17-3)15(2)12(16)9-4-10(13)6-11(14)5-9/h4-6,8H,7H2,1-3H3
InChIKeySLVWCTPTEKIGOZ-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.68
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103909933
3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 103826716
3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide
CID 107952071
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 103826959
3-bromo-5-chloro-N-(3-hydroxybutyl)-N-methylbenzamide
CID 103827200
3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 113461448
4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112692087
2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 112692132
3-bromo-5-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107952079
3-bromo-5-chloro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103827088
3-bromo-N-butyl-5-chloro-N-methylbenzamide
CID 110415930

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide (CID 103827012) is 3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide is CSCC(C)N(C)C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The InChIKey is SLVWCTPTEKIGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNOS/c1-8(7-17-3)15(2)12(16)9-4-10(13)6-11(14)5-9/h4-6,8H,7H2,1-3H3.
What are the key properties of 3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide has a molecular weight of 336.68 g/mol, XLogP of 3.93, 4 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-methylsulfanylpropan-2-yl)benzamide is sourced from PubChem (CID 103827012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).