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

C11H13BrClNOS — CID 103990835

IUPAC3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C11H13BrClNOS/c1-7(6-16-2)14-11(15)8-4-3-5-9(12)10(8)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyGJDRSXNVQLGIMT-UHFFFAOYSA-N
MW322.66 g/mol
LogP3.58
Rot. Bonds4

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

3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide (PubChem CID 103990835) has the molecular formula C11H13BrClNOS and a molecular weight of 322.66 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide
PubChem CID103990835
Molecular FormulaC11H13BrClNOS
Molecular Weight322.66 g/mol
Exact Mass320.96
IUPAC Name3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C11H13BrClNOS/c1-7(6-16-2)14-11(15)8-4-3-5-9(12)10(8)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyGJDRSXNVQLGIMT-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.66
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-[(3-bromo-2-chlorobenzoyl)amino]hexanoic acid
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ethyl 3-[(3-bromo-2-chlorobenzoyl)amino]butanoate
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3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide
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3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103994641
3-bromo-2-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 103994750
3-chloro-2-(1-methylsulfanylpropan-2-ylcarbamoyl)benzoic acid
CID 66722740
3-bromo-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
CID 106547482
3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
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4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103873373
2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide
CID 58370506

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide (CID 103990835) is 3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide is CSCC(C)NC(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide?
The InChIKey is GJDRSXNVQLGIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNOS/c1-7(6-16-2)14-11(15)8-4-3-5-9(12)10(8)13/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide?
3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide has a molecular weight of 322.66 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide is sourced from PubChem (CID 103990835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).