N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride

C14H22Cl2N2OS — CID 119587581

IUPACN-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
SMILESCSc1ccc(Cl)c(C(=O)NC(CN)CC(C)C)c1.Cl
InChIInChI=1S/C14H21ClN2OS.ClH/c1-9(2)6-10(8-16)17-14(18)12-7-11(19-3)4-5-13(12)15;/h4-5,7,9-10H,6,8,16H2,1-3H3,(H,17,18);1H
InChIKeyVFBXHRNLYNMHPU-UHFFFAOYSA-N
MW337.32 g/mol
LogP3.59
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride (PubChem CID 119587581) has the molecular formula C14H22Cl2N2OS and a molecular weight of 337.32 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
PubChem CID119587581
Molecular FormulaC14H22Cl2N2OS
Molecular Weight337.32 g/mol
Exact Mass336.08
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
SMILESCSc1ccc(Cl)c(C(=O)NC(CN)CC(C)C)c1.Cl
InChIInChI=1S/C14H21ClN2OS.ClH/c1-9(2)6-10(8-16)17-14(18)12-7-11(19-3)4-5-13(12)15;/h4-5,7,9-10H,6,8,16H2,1-3H3,(H,17,18);1H
InChIKeyVFBXHRNLYNMHPU-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(1-chloro-4-methylpentan-2-yl)-5-methylsulfanylbenzamide
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N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
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N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide
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N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
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CID 4806698
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
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N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide
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N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
CID 114024777
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride
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CID 81461199

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride (CID 119587581) is N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride is CSc1ccc(Cl)c(C(=O)NC(CN)CC(C)C)c1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride?
The InChIKey is VFBXHRNLYNMHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS.ClH/c1-9(2)6-10(8-16)17-14(18)12-7-11(19-3)4-5-13(12)15;/h4-5,7,9-10H,6,8,16H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride has a molecular weight of 337.32 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride is sourced from PubChem (CID 119587581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).