5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide

C13H17BrClNOS — CID 115662149

IUPAC5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide
SMILESCCSCCC(C)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H17BrClNOS/c1-3-18-7-6-9(2)16-13(17)11-8-10(14)4-5-12(11)15/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyYTBIUBDQDPRYAZ-UHFFFAOYSA-N
MW350.71 g/mol
LogP4.36
Rot. Bonds6

About 5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide

5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide (PubChem CID 115662149) has the molecular formula C13H17BrClNOS and a molecular weight of 350.71 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide
PubChem CID115662149
Molecular FormulaC13H17BrClNOS
Molecular Weight350.71 g/mol
Exact Mass348.99
IUPAC Name5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide
SMILESCCSCCC(C)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H17BrClNOS/c1-3-18-7-6-9(2)16-13(17)11-8-10(14)4-5-12(11)15/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyYTBIUBDQDPRYAZ-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.71
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide
CID 114299553
5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide
CID 60631422
3-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 113362656
2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 114924724
5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92742810
2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 115747545
2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 103883078
(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid
CID 78972945
(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 93302632
5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733019

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide (CID 115662149) is 5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide is CCSCCC(C)NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide?
The InChIKey is YTBIUBDQDPRYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNOS/c1-3-18-7-6-9(2)16-13(17)11-8-10(14)4-5-12(11)15/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide?
5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide has a molecular weight of 350.71 g/mol, XLogP of 4.36, 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-(4-ethylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 115662149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).