1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride

C13H18ClIN2O — CID 119674707

IUPAC1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2cccc(I)c2)CCCC1
InChIInChI=1S/C13H17IN2O.ClH/c14-10-4-3-5-11(8-10)16-12(17)13(9-15)6-1-2-7-13;/h3-5,8H,1-2,6-7,9,15H2,(H,16,17);1H
InChIKeyWIQYHMUPFSJWRS-UHFFFAOYSA-N
MW380.66 g/mol
LogP3.17
Rot. Bonds3

About 1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride

1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119674707) has the molecular formula C13H18ClIN2O and a molecular weight of 380.66 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119674707
Molecular FormulaC13H18ClIN2O
Molecular Weight380.66 g/mol
Exact Mass380.02
IUPAC Name1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2cccc(I)c2)CCCC1
InChIInChI=1S/C13H17IN2O.ClH/c14-10-4-3-5-11(8-10)16-12(17)13(9-15)6-1-2-7-13;/h3-5,8H,1-2,6-7,9,15H2,(H,16,17);1H
InChIKeyWIQYHMUPFSJWRS-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 119709721
1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 81485238
1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 81486575
1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433937
1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide
CID 115437382
1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide
CID 115447728
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844438
1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096054
2-(1-hydroxycyclopentyl)-N-(3-iodophenyl)acetamide
CID 111432130

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride (CID 119674707) is 1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride is Cl.NCC1(C(=O)Nc2cccc(I)c2)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is WIQYHMUPFSJWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O.ClH/c14-10-4-3-5-11(8-10)16-12(17)13(9-15)6-1-2-7-13;/h3-5,8H,1-2,6-7,9,15H2,(H,16,17);1H.
What are the key properties of 1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride?
1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 380.66 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119674707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).