N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride

C12H17Cl3N2OS — CID 119522762

IUPACN-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
SMILESCSc1cc(C(=O)NC(C)(C)CN)c(Cl)cc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2OS.ClH/c1-12(2,6-15)16-11(17)7-4-10(18-3)9(14)5-8(7)13;/h4-5H,6,15H2,1-3H3,(H,16,17);1H
InChIKeyBLOAEIRDGZBUHR-UHFFFAOYSA-N
MW343.71 g/mol
LogP3.60
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride (PubChem CID 119522762) has the molecular formula C12H17Cl3N2OS and a molecular weight of 343.71 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
PubChem CID119522762
Molecular FormulaC12H17Cl3N2OS
Molecular Weight343.71 g/mol
Exact Mass342.01
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
SMILESCSc1cc(C(=O)NC(C)(C)CN)c(Cl)cc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2OS.ClH/c1-12(2,6-15)16-11(17)7-4-10(18-3)9(14)5-8(7)13;/h4-5H,6,15H2,1-3H3,(H,16,17);1H
InChIKeyBLOAEIRDGZBUHR-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.71
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
CID 119521536
N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119996337
N-(3-aminopropyl)-2,4-dichloro-5-methylsulfanylbenzamide
CID 119406414
N-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119614679
2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
CID 119506464
N-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide
CID 119566240
N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide
CID 63194127
N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride
CID 119525205
2,4-dichloro-N-[3-(methylamino)propyl]-5-methylsulfanylbenzamide
CID 119431280
N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide
CID 119522951
N-(1-amino-2-methylpropan-2-yl)-2-chloro-4-nitrobenzamide
CID 119522293
N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
CID 119572423

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride (CID 119522762) is N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride is CSc1cc(C(=O)NC(C)(C)CN)c(Cl)cc1Cl.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride?
The InChIKey is BLOAEIRDGZBUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2OS.ClH/c1-12(2,6-15)16-11(17)7-4-10(18-3)9(14)5-8(7)13;/h4-5H,6,15H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride has a molecular weight of 343.71 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride is sourced from PubChem (CID 119522762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).