N-[1-(aminomethyl)cyclopentyl]-2-(5-bromo-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride

C16H19BrClN3O3 — CID 119566844

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(5-bromo-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
SMILESCl.NCC1(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CCCC1
InChIInChI=1S/C16H18BrN3O3.ClH/c17-10-3-4-11-12(7-10)15(23)20(14(11)22)8-13(21)19-16(9-18)5-1-2-6-16;/h3-4,7H,1-2,5-6,8-9,18H2,(H,19,21);1H
InChIKeyCACQPCOGISYMQD-UHFFFAOYSA-N
MW416.70 g/mol
LogP1.85
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-2-(5-bromo-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-2-(5-bromo-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride (PubChem CID 119566844) has the molecular formula C16H19BrClN3O3 and a molecular weight of 416.70 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(5-bromo-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(5-bromo-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
PubChem CID119566844
Molecular FormulaC16H19BrClN3O3
Molecular Weight416.70 g/mol
Exact Mass415.03
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(5-bromo-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
SMILESCl.NCC1(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CCCC1
InChIInChI=1S/C16H18BrN3O3.ClH/c17-10-3-4-11-12(7-10)15(23)20(14(11)22)8-13(21)19-16(9-18)5-1-2-6-16;/h3-4,7H,1-2,5-6,8-9,18H2,(H,19,21);1H
InChIKeyCACQPCOGISYMQD-UHFFFAOYSA-N
XLogP1.85
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.70
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 119565968
1-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 71897430
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-tert-butylacetamide
CID 86978677
2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromoisoindole-1,3-dione
CID 120810277
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-methylcyclobutyl)propanamide
CID 71909809
5-bromo-2-(2-oxopropyl)isoindole-1,3-dione
CID 71186577
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 27539267
N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
CID 119567613
N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride
CID 119566788
sodium 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
CID 19205606
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide
CID 42052502
N-[1-(aminomethyl)cyclopentyl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 119566853

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(5-bromo-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(5-bromo-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride (CID 119566844) is N-[1-(aminomethyl)cyclopentyl]-2-(5-bromo-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(5-bromo-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(5-bromo-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride is Cl.NCC1(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(5-bromo-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride?
The InChIKey is CACQPCOGISYMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3.ClH/c17-10-3-4-11-12(7-10)15(23)20(14(11)22)8-13(21)19-16(9-18)5-1-2-6-16;/h3-4,7H,1-2,5-6,8-9,18H2,(H,19,21);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(5-bromo-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-2-(5-bromo-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride has a molecular weight of 416.70 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(5-bromo-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119566844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).