3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride

C20H20ClN3O3 — CID 119773958

IUPAC3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)C1
InChIInChI=1S/C20H19N3O3.ClH/c21-13-9-8-12(10-13)18(24)22-14-4-3-5-15(11-14)23-19(25)16-6-1-2-7-17(16)20(23)26;/h1-7,11-13H,8-10,21H2,(H,22,24);1H
InChIKeyULYMQQQHNTYTMX-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.97
Rot. Bonds3

About 3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119773958) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119773958
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)C1
InChIInChI=1S/C20H19N3O3.ClH/c21-13-9-8-12(10-13)18(24)22-14-4-3-5-15(11-14)23-19(25)16-6-1-2-7-17(16)20(23)26;/h1-7,11-13H,8-10,21H2,(H,22,24);1H
InChIKeyULYMQQQHNTYTMX-UHFFFAOYSA-N
XLogP2.97
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.97
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

3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide
CID 66010193
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide
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N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
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CID 56508448
3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide
CID 106911930
3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119809541
3-amino-N-[3-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119707736
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 56507833
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228
3-amino-N-[3-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731804
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 56508469

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119773958) is 3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)C1.
What is the InChIKey of 3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is ULYMQQQHNTYTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3.ClH/c21-13-9-8-12(10-13)18(24)22-14-4-3-5-15(11-14)23-19(25)16-6-1-2-7-17(16)20(23)26;/h1-7,11-13H,8-10,21H2,(H,22,24);1H.
What are the key properties of 3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 385.85 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119773958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).