N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride

C15H21Cl3N2O2 — CID 119567423

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
SMILESCl.NCC1(NC(=O)CCOc2ccc(Cl)cc2Cl)CCCC1
InChIInChI=1S/C15H20Cl2N2O2.ClH/c16-11-3-4-13(12(17)9-11)21-8-5-14(20)19-15(10-18)6-1-2-7-15;/h3-4,9H,1-2,5-8,10,18H2,(H,19,20);1H
InChIKeyIQNVLLMXUZBCSP-UHFFFAOYSA-N
MW367.70 g/mol
LogP3.57
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride (PubChem CID 119567423) has the molecular formula C15H21Cl3N2O2 and a molecular weight of 367.70 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
PubChem CID119567423
Molecular FormulaC15H21Cl3N2O2
Molecular Weight367.70 g/mol
Exact Mass366.07
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
SMILESCl.NCC1(NC(=O)CCOc2ccc(Cl)cc2Cl)CCCC1
InChIInChI=1S/C15H20Cl2N2O2.ClH/c16-11-3-4-13(12(17)9-11)21-8-5-14(20)19-15(10-18)6-1-2-7-15;/h3-4,9H,1-2,5-8,10,18H2,(H,19,20);1H
InChIKeyIQNVLLMXUZBCSP-UHFFFAOYSA-N
XLogP3.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119565539
2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522356
N-[1-(aminomethyl)cyclopentyl]-2-(2,4-dichlorophenoxy)propanamide
CID 119565396
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide
CID 119564877
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide
CID 119565773
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119574900
1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119306646
N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119498285
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 43350973
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119567939

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride (CID 119567423) is N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride is Cl.NCC1(NC(=O)CCOc2ccc(Cl)cc2Cl)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride?
The InChIKey is IQNVLLMXUZBCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2.ClH/c16-11-3-4-13(12(17)9-11)21-8-5-14(20)19-15(10-18)6-1-2-7-15;/h3-4,9H,1-2,5-8,10,18H2,(H,19,20);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride has a molecular weight of 367.70 g/mol, XLogP of 3.57, 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-(2,4-dichlorophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119567423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).