N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride

C15H22Cl2N2O2 — CID 119565936

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride
SMILESCl.NCC1(NC(=O)CCOc2ccccc2Cl)CCCC1
InChIInChI=1S/C15H21ClN2O2.ClH/c16-12-5-1-2-6-13(12)20-10-7-14(19)18-15(11-17)8-3-4-9-15;/h1-2,5-6H,3-4,7-11,17H2,(H,18,19);1H
InChIKeyUXUNOWFQHWQLBE-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.92
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride (PubChem CID 119565936) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride
PubChem CID119565936
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride
SMILESCl.NCC1(NC(=O)CCOc2ccccc2Cl)CCCC1
InChIInChI=1S/C15H21ClN2O2.ClH/c16-12-5-1-2-6-13(12)20-10-7-14(19)18-15(11-17)8-3-4-9-15;/h1-2,5-6H,3-4,7-11,17H2,(H,18,19);1H
InChIKeyUXUNOWFQHWQLBE-UHFFFAOYSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride (CID 119565936) is N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride is Cl.NCC1(NC(=O)CCOc2ccccc2Cl)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride?
The InChIKey is UXUNOWFQHWQLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c16-12-5-1-2-6-13(12)20-10-7-14(19)18-15(11-17)8-3-4-9-15;/h1-2,5-6H,3-4,7-11,17H2,(H,18,19);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119565936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).