2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride

C12H17Cl3N2OS — CID 119506464

IUPAC2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
SMILESCCNCCNC(=O)c1cc(SC)c(Cl)cc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2OS.ClH/c1-3-15-4-5-16-12(17)8-6-11(18-2)10(14)7-9(8)13;/h6-7,15H,3-5H2,1-2H3,(H,16,17);1H
InChIKeyFOLIVKHHLVKKHI-UHFFFAOYSA-N
MW343.71 g/mol
LogP3.48
Rot. Bonds6

About 2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride

2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride (PubChem CID 119506464) has the molecular formula C12H17Cl3N2OS and a molecular weight of 343.71 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
PubChem CID119506464
Molecular FormulaC12H17Cl3N2OS
Molecular Weight343.71 g/mol
Exact Mass342.01
IUPAC Name2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
SMILESCCNCCNC(=O)c1cc(SC)c(Cl)cc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2OS.ClH/c1-3-15-4-5-16-12(17)8-6-11(18-2)10(14)7-9(8)13;/h6-7,15H,3-5H2,1-2H3,(H,16,17);1H
InChIKeyFOLIVKHHLVKKHI-UHFFFAOYSA-N
XLogP3.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.71
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[3-(methylamino)propyl]-5-methylsulfanylbenzamide
CID 119431280
N-(3-aminopropyl)-2,4-dichloro-5-methylsulfanylbenzamide
CID 119406414
2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119509137
N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119996337
2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride
CID 119506272
2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535242
2,4-dichloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylsulfanylbenzamide;hydrochloride
CID 120948818
N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119522762
2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511689
methyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate
CID 59888546
2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508533
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride?
The IUPAC name of 2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride (CID 119506464) is 2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride.
What is the SMILES notation for 2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride?
The canonical SMILES for 2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride is CCNCCNC(=O)c1cc(SC)c(Cl)cc1Cl.Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride?
The InChIKey is FOLIVKHHLVKKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2OS.ClH/c1-3-15-4-5-16-12(17)8-6-11(18-2)10(14)7-9(8)13;/h6-7,15H,3-5H2,1-2H3,(H,16,17);1H.
What are the key properties of 2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride?
2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride has a molecular weight of 343.71 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride is sourced from PubChem (CID 119506464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).