5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide

C14H19BrClNOS — CID 103709313

IUPAC5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
SMILESCCC(CC)(CNC(=O)c1cc(Br)ccc1Cl)SC
InChIInChI=1S/C14H19BrClNOS/c1-4-14(5-2,19-3)9-17-13(18)11-8-10(15)6-7-12(11)16/h6-8H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyWCQCXWVAQXHZMO-UHFFFAOYSA-N
MW364.74 g/mol
LogP4.75
Rot. Bonds6

About 5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide

5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide (PubChem CID 103709313) has the molecular formula C14H19BrClNOS and a molecular weight of 364.74 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
PubChem CID103709313
Molecular FormulaC14H19BrClNOS
Molecular Weight364.74 g/mol
Exact Mass363.01
IUPAC Name5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
SMILESCCC(CC)(CNC(=O)c1cc(Br)ccc1Cl)SC
InChIInChI=1S/C14H19BrClNOS/c1-4-14(5-2,19-3)9-17-13(18)11-8-10(15)6-7-12(11)16/h6-8H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyWCQCXWVAQXHZMO-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.74
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119642954
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CID 119629541
5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
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4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103812552
2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide
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CID 113259213
5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide
CID 90499338
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103822118
5-bromo-2-chloro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110413932
3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid
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5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide (CID 103709313) is 5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide is CCC(CC)(CNC(=O)c1cc(Br)ccc1Cl)SC.
What is the InChIKey of 5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide?
The InChIKey is WCQCXWVAQXHZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNOS/c1-4-14(5-2,19-3)9-17-13(18)11-8-10(15)6-7-12(11)16/h6-8H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of 5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide?
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide has a molecular weight of 364.74 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide is sourced from PubChem (CID 103709313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).