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

C13H17Cl3N2OS — CID 119614679

IUPACN-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
SMILESCSc1cc(C(=O)NC(CN)C2CC2)c(Cl)cc1Cl.Cl
InChIInChI=1S/C13H16Cl2N2OS.ClH/c1-19-12-4-8(9(14)5-10(12)15)13(18)17-11(6-16)7-2-3-7;/h4-5,7,11H,2-3,6,16H2,1H3,(H,17,18);1H
InChIKeyGGQJUCFZXKXWLD-UHFFFAOYSA-N
MW355.72 g/mol
LogP3.60
Rot. Bonds5

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

N-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride (PubChem CID 119614679) has the molecular formula C13H17Cl3N2OS and a molecular weight of 355.72 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
PubChem CID119614679
Molecular FormulaC13H17Cl3N2OS
Molecular Weight355.72 g/mol
Exact Mass354.01
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
SMILESCSc1cc(C(=O)NC(CN)C2CC2)c(Cl)cc1Cl.Cl
InChIInChI=1S/C13H16Cl2N2OS.ClH/c1-19-12-4-8(9(14)5-10(12)15)13(18)17-11(6-16)7-2-3-7;/h4-5,7,11H,2-3,6,16H2,1H3,(H,17,18);1H
InChIKeyGGQJUCFZXKXWLD-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.72
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride
CID 119614072
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
CID 82883177
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride
CID 119613251
N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119996337
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide
CID 119614910
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide
CID 106862320
N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride
CID 119615563
N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119522762
N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride
CID 119617277
N-(3-aminopropyl)-2,4-dichloro-5-methylsulfanylbenzamide
CID 119406414
N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide
CID 65188786

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride (CID 119614679) is N-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride is CSc1cc(C(=O)NC(CN)C2CC2)c(Cl)cc1Cl.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride?
The InChIKey is GGQJUCFZXKXWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2OS.ClH/c1-19-12-4-8(9(14)5-10(12)15)13(18)17-11(6-16)7-2-3-7;/h4-5,7,11H,2-3,6,16H2,1H3,(H,17,18);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride has a molecular weight of 355.72 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride is sourced from PubChem (CID 119614679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).