4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide

C13H18Cl2N2OS — CID 115869170

IUPAC4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
SMILESCSCCC(C)N(C)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2OS/c1-8(4-5-19-3)17(2)13(18)9-6-10(14)12(16)11(15)7-9/h6-8H,4-5,16H2,1-3H3
InChIKeyUAPYQEWKRMBYKW-UHFFFAOYSA-N
MW321.27 g/mol
LogP3.79
Rot. Bonds5

About 4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide

4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide (PubChem CID 115869170) has the molecular formula C13H18Cl2N2OS and a molecular weight of 321.27 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
PubChem CID115869170
Molecular FormulaC13H18Cl2N2OS
Molecular Weight321.27 g/mol
Exact Mass320.05
IUPAC Name4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
SMILESCSCCC(C)N(C)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2OS/c1-8(4-5-19-3)17(2)13(18)9-6-10(14)12(16)11(15)7-9/h6-8H,4-5,16H2,1-3H3
InChIKeyUAPYQEWKRMBYKW-UHFFFAOYSA-N
XLogP3.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-nitrobenzamide
CID 115636278
4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide
CID 82832777
3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 113461448
4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-3-nitrobenzamide
CID 115636279
3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 113366826
2-bromo-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 103765320
3-bromo-4-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 103707593
3-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 115667187
6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 113304887
(2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 104909263
4-amino-3,5-dichloro-N-hydroxy-N-methylbenzamide
CID 130956892
2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 115683356

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide (CID 115869170) is 4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide is CSCCC(C)N(C)C(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is UAPYQEWKRMBYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2OS/c1-8(4-5-19-3)17(2)13(18)9-6-10(14)12(16)11(15)7-9/h6-8H,4-5,16H2,1-3H3.
What are the key properties of 4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide?
4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide has a molecular weight of 321.27 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 115869170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).