N-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride

C14H20ClIN2O2 — CID 119567396

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride
SMILESCl.NCC1(NC(=O)COc2ccc(I)cc2)CCCC1
InChIInChI=1S/C14H19IN2O2.ClH/c15-11-3-5-12(6-4-11)19-9-13(18)17-14(10-16)7-1-2-8-14;/h3-6H,1-2,7-10,16H2,(H,17,18);1H
InChIKeyNANCRWNXZWADIO-UHFFFAOYSA-N
MW410.68 g/mol
LogP2.48
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride (PubChem CID 119567396) has the molecular formula C14H20ClIN2O2 and a molecular weight of 410.68 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride
PubChem CID119567396
Molecular FormulaC14H20ClIN2O2
Molecular Weight410.68 g/mol
Exact Mass410.03
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride
SMILESCl.NCC1(NC(=O)COc2ccc(I)cc2)CCCC1
InChIInChI=1S/C14H19IN2O2.ClH/c15-11-3-5-12(6-4-11)19-9-13(18)17-14(10-16)7-1-2-8-14;/h3-6H,1-2,7-10,16H2,(H,17,18);1H
InChIKeyNANCRWNXZWADIO-UHFFFAOYSA-N
XLogP2.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.68
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-2-phenoxyacetamide
CID 63755837
N-[1-(aminomethyl)cyclopentyl]-2-(3,4-dimethylphenoxy)acetamide
CID 119565775
N-[1-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119567192
N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 119564832
N-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 119567004
N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride
CID 119384507
N-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119565633
2-[1-[(2-phenoxyacetyl)amino]cyclopentyl]acetic acid
CID 64673162
N-[1-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 119567203
N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide
CID 114314207
N-[1-(aminomethyl)cyclohexyl]-2-methoxyacetamide
CID 63755662
N-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide
CID 119566013

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride (CID 119567396) is N-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride is Cl.NCC1(NC(=O)COc2ccc(I)cc2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride?
The InChIKey is NANCRWNXZWADIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2.ClH/c15-11-3-5-12(6-4-11)19-9-13(18)17-14(10-16)7-1-2-8-14;/h3-6H,1-2,7-10,16H2,(H,17,18);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride has a molecular weight of 410.68 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119567396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).