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

C15H15ClN2OS — CID 115540177

IUPAC2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)NCCSc1ccccc1
InChIInChI=1S/C15H15ClN2OS/c16-13-8-4-7-12(14(13)17)15(19)18-9-10-20-11-5-2-1-3-6-11/h1-8H,9-10,17H2,(H,18,19)
InChIKeyDWVFJIPPEPPHEK-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.44
Rot. Bonds5

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

2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 115540177) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide
PubChem CID115540177
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)NCCSc1ccccc1
InChIInChI=1S/C15H15ClN2OS/c16-13-8-4-7-12(14(13)17)15(19)18-9-10-20-11-5-2-1-3-6-11/h1-8H,9-10,17H2,(H,18,19)
InChIKeyDWVFJIPPEPPHEK-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-phenylsulfanylethyl)benzamide
CID 60977100
3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 103979113
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658
2-amino-3-chloro-N-propylbenzamide
CID 80503191
2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide
CID 4255523
2-amino-3-chloro-N-(2-phenylpropyl)benzamide
CID 115540226
2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308339
2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 103763452
2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 115540069
2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide
CID 82546908
2-chloro-N-[3-oxo-1-phenyl-3-(2-phenylsulfanylethylamino)propyl]benzamide
CID 55389241
2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 113331749

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide (CID 115540177) is 2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide is Nc1c(Cl)cccc1C(=O)NCCSc1ccccc1.
What is the InChIKey of 2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is DWVFJIPPEPPHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-13-8-4-7-12(14(13)17)15(19)18-9-10-20-11-5-2-1-3-6-11/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of 2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide?
2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 306.82 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 115540177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).