N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride

C12H17Cl3N2OS — CID 119996337

IUPACN-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
SMILESCSc1cc(C(=O)NCC(C)CN)c(Cl)cc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2OS.ClH/c1-7(5-15)6-16-12(17)8-3-11(18-2)10(14)4-9(8)13;/h3-4,7H,5-6,15H2,1-2H3,(H,16,17);1H
InChIKeyFSJRSOLBMJYTMD-UHFFFAOYSA-N
MW343.71 g/mol
LogP3.46
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride

N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride (PubChem CID 119996337) has the molecular formula C12H17Cl3N2OS and a molecular weight of 343.71 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
PubChem CID119996337
Molecular FormulaC12H17Cl3N2OS
Molecular Weight343.71 g/mol
Exact Mass342.01
IUPAC NameN-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
SMILESCSc1cc(C(=O)NCC(C)CN)c(Cl)cc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2OS.ClH/c1-7(5-15)6-16-12(17)8-3-11(18-2)10(14)4-9(8)13;/h3-4,7H,5-6,15H2,1-2H3,(H,16,17);1H
InChIKeyFSJRSOLBMJYTMD-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.71
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2,4-dichloro-5-methylsulfanylbenzamide
CID 119406414
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030
2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
CID 119506464
N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119522762
N-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119614679
2,4-dichloro-N-[3-(methylamino)propyl]-5-methylsulfanylbenzamide
CID 119431280
N-(1-aminopropan-2-yl)-2,4-dichloro-N-methyl-5-methylsulfanylbenzamide
CID 119582773
N-(3-amino-2-methylpropyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119997159
N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride
CID 119996487
2,4-dichloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylsulfanylbenzamide;hydrochloride
CID 120948818
N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 115267427
2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511689

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride (CID 119996337) is N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride is CSc1cc(C(=O)NCC(C)CN)c(Cl)cc1Cl.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride?
The InChIKey is FSJRSOLBMJYTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2OS.ClH/c1-7(5-15)6-16-12(17)8-3-11(18-2)10(14)4-9(8)13;/h3-4,7H,5-6,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride?
N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride has a molecular weight of 343.71 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride is sourced from PubChem (CID 119996337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).