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

C15H13BrClNOS — CID 103979113

IUPAC3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1cccc(Br)c1Cl
InChIInChI=1S/C15H13BrClNOS/c16-13-8-4-7-12(14(13)17)15(19)18-9-10-20-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19)
InChIKeyAWIXQDQDQHYCLU-UHFFFAOYSA-N
MW370.70 g/mol
LogP4.62
Rot. Bonds5

About 3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide

3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 103979113) has the molecular formula C15H13BrClNOS and a molecular weight of 370.70 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide
PubChem CID103979113
Molecular FormulaC15H13BrClNOS
Molecular Weight370.70 g/mol
Exact Mass368.96
IUPAC Name3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1cccc(Br)c1Cl
InChIInChI=1S/C15H13BrClNOS/c16-13-8-4-7-12(14(13)17)15(19)18-9-10-20-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19)
InChIKeyAWIXQDQDQHYCLU-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

2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 103763452
2-amino-N-(2-phenylsulfanylethyl)benzamide
CID 60977100
2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 115540177
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658
3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
CID 103993764
2-bromo-5-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 80965861
3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide
CID 106842310
4-[(3-bromo-2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006274
3-bromo-2-chloro-N-hexylbenzamide
CID 103975214
3-bromo-N-(2-phenylsulfanylethyl)thiophene-2-carboxamide
CID 47219653
(2S)-3-[(3-bromo-2-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833301
2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide
CID 4255523

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide (CID 103979113) is 3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide is O=C(NCCSc1ccccc1)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is AWIXQDQDQHYCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNOS/c16-13-8-4-7-12(14(13)17)15(19)18-9-10-20-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of 3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide?
3-bromo-2-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 3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 103979113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).