2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride

C17H26Cl2N2OS — CID 119620649

IUPAC2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
SMILESCSc1ccc(Cl)c(C(=O)NCCNC2CCCCCC2)c1.Cl
InChIInChI=1S/C17H25ClN2OS.ClH/c1-22-14-8-9-16(18)15(12-14)17(21)20-11-10-19-13-6-4-2-3-5-7-13;/h8-9,12-13,19H,2-7,10-11H2,1H3,(H,20,21);1H
InChIKeyLFQAQTTXBFBZHY-UHFFFAOYSA-N
MW377.38 g/mol
LogP4.53
Rot. Bonds6

About 2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride

2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride (PubChem CID 119620649) has the molecular formula C17H26Cl2N2OS and a molecular weight of 377.38 g/mol. Its IUPAC name is 2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
PubChem CID119620649
Molecular FormulaC17H26Cl2N2OS
Molecular Weight377.38 g/mol
Exact Mass376.11
IUPAC Name2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
SMILESCSc1ccc(Cl)c(C(=O)NCCNC2CCCCCC2)c1.Cl
InChIInChI=1S/C17H25ClN2OS.ClH/c1-22-14-8-9-16(18)15(12-14)17(21)20-11-10-19-13-6-4-2-3-5-7-13;/h8-9,12-13,19H,2-7,10-11H2,1H3,(H,20,21);1H
InChIKeyLFQAQTTXBFBZHY-UHFFFAOYSA-N
XLogP4.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide
CID 81486156
2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 46598347
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
N-(2-bromoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 114307468
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793714
2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536475
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride
CID 119620646
2-chloro-N-(5-hydroxypentyl)-5-methylsulfanylbenzamide
CID 107319089
2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462907
2-chloro-5-methylsulfanyl-N-[(E)-pent-3-enyl]benzamide
CID 113236475
N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide
CID 81483390

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride?
The IUPAC name of 2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride (CID 119620649) is 2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride is CSc1ccc(Cl)c(C(=O)NCCNC2CCCCCC2)c1.Cl.
What is the InChIKey of 2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride?
The InChIKey is LFQAQTTXBFBZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2OS.ClH/c1-22-14-8-9-16(18)15(12-14)17(21)20-11-10-19-13-6-4-2-3-5-7-13;/h8-9,12-13,19H,2-7,10-11H2,1H3,(H,20,21);1H.
What are the key properties of 2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride?
2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride has a molecular weight of 377.38 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride is sourced from PubChem (CID 119620649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).