2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

C13H17Cl3N2OS — CID 119511689

IUPAC2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCSc1cc(C(=O)NCC2CCCN2)c(Cl)cc1Cl.Cl
InChIInChI=1S/C13H16Cl2N2OS.ClH/c1-19-12-5-9(10(14)6-11(12)15)13(18)17-7-8-3-2-4-16-8;/h5-6,8,16H,2-4,7H2,1H3,(H,17,18);1H
InChIKeyFFLFIYOHGWHTMK-UHFFFAOYSA-N
MW355.72 g/mol
LogP3.62
Rot. Bonds4

About 2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119511689) has the molecular formula C13H17Cl3N2OS and a molecular weight of 355.72 g/mol. Its IUPAC name is 2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID119511689
Molecular FormulaC13H17Cl3N2OS
Molecular Weight355.72 g/mol
Exact Mass354.01
IUPAC Name2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCSc1cc(C(=O)NCC2CCCN2)c(Cl)cc1Cl.Cl
InChIInChI=1S/C13H16Cl2N2OS.ClH/c1-19-12-5-9(10(14)6-11(12)15)13(18)17-7-8-3-2-4-16-8;/h5-6,8,16H,2-4,7H2,1H3,(H,17,18);1H
InChIKeyFFLFIYOHGWHTMK-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.72
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514843
2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793714
2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535242
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 103806352
2-chloro-5-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62539858
5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513769
3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107098061
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
5-chloro-2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510110
4,5-difluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510964
2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
CID 119506464
2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806355

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 119511689) is 2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is CSc1cc(C(=O)NCC2CCCN2)c(Cl)cc1Cl.Cl.
What is the InChIKey of 2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is FFLFIYOHGWHTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2OS.ClH/c1-19-12-5-9(10(14)6-11(12)15)13(18)17-7-8-3-2-4-16-8;/h5-6,8,16H,2-4,7H2,1H3,(H,17,18);1H.
What are the key properties of 2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 355.72 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119511689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).