2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide

C15H13BrClNOS — CID 103763452

IUPAC2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H13BrClNOS/c16-14-10-11(17)6-7-13(14)15(19)18-8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyILAYUERNZSUMLZ-UHFFFAOYSA-N
MW370.70 g/mol
LogP4.62
Rot. Bonds5

About 2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide

2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 103763452) has the molecular formula C15H13BrClNOS and a molecular weight of 370.70 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide
PubChem CID103763452
Molecular FormulaC15H13BrClNOS
Molecular Weight370.70 g/mol
Exact Mass368.96
IUPAC Name2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H13BrClNOS/c16-14-10-11(17)6-7-13(14)15(19)18-8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyILAYUERNZSUMLZ-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.70
LogP ≤ 54.62
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

3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 103979113
2-bromo-5-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 80965861
2-amino-N-(2-phenylsulfanylethyl)benzamide
CID 60977100
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658
2-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 103763962
2-bromo-4-chloro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107990240
2-bromo-4-chloro-N-(5-hydroxypentyl)benzamide
CID 107342949
2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113257915
2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 115540177
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-chloro-2-hydroxybenzoate
CID 8953509
3-bromo-N-(2-phenylsulfanylethyl)thiophene-2-carboxamide
CID 47219653
2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide
CID 107988215

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide (CID 103763452) is 2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide is O=C(NCCSc1ccccc1)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is ILAYUERNZSUMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNOS/c16-14-10-11(17)6-7-13(14)15(19)18-8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of 2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide?
2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 370.70 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 103763452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).