2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride

C22H23ClFN3O3 — CID 24783489

IUPAC2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCCCC1)c1ccc2c(c1)C(=O)N(c1ccccc1F)C2=O
InChIInChI=1S/C22H22FN3O3.ClH/c23-18-6-2-3-7-19(18)26-21(28)16-9-8-15(14-17(16)22(26)29)20(27)24-10-13-25-11-4-1-5-12-25;/h2-3,6-9,14H,1,4-5,10-13H2,(H,24,27);1H
InChIKeyNDDBIOOIXROLTQ-UHFFFAOYSA-N
MW431.90 g/mol
LogP3.26
Rot. Bonds5

About 2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride

2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride (PubChem CID 24783489) has the molecular formula C22H23ClFN3O3 and a molecular weight of 431.90 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride
PubChem CID24783489
Molecular FormulaC22H23ClFN3O3
Molecular Weight431.90 g/mol
Exact Mass431.14
IUPAC Name2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCCCC1)c1ccc2c(c1)C(=O)N(c1ccccc1F)C2=O
InChIInChI=1S/C22H22FN3O3.ClH/c23-18-6-2-3-7-19(18)26-21(28)16-9-8-15(14-17(16)22(26)29)20(27)24-10-13-25-11-4-1-5-12-25;/h2-3,6-9,14H,1,4-5,10-13H2,(H,24,27);1H
InChIKeyNDDBIOOIXROLTQ-UHFFFAOYSA-N
XLogP3.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-1,3-dioxo-N-(3-pyrrolidin-1-ylpropyl)isoindole-5-carboxamide;hydrochloride
CID 24783746
2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide
CID 69277588
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 168519610
2-[(3-methylphenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride
CID 24786050
9-oxo-N-(3-piperidin-1-ylpropyl)fluorene-2-carboxamide
CID 25467153
N-[3-(azepan-1-yl)propyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 30942271
2-[(3-fluorophenyl)methyl]-1,3-dioxo-N-(3-pyrrolidin-1-ylpropyl)isoindole-5-carboxamide
CID 69277947
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
2-(2-methylphenyl)-1,3-dioxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoindole-5-carboxamide
CID 39540741
2-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-1,3-dioxoisoindole-5-carboxamide
CID 108750516

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride?
The IUPAC name of 2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride (CID 24783489) is 2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride is Cl.O=C(NCCN1CCCCC1)c1ccc2c(c1)C(=O)N(c1ccccc1F)C2=O.
What is the InChIKey of 2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride?
The InChIKey is NDDBIOOIXROLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3.ClH/c23-18-6-2-3-7-19(18)26-21(28)16-9-8-15(14-17(16)22(26)29)20(27)24-10-13-25-11-4-1-5-12-25;/h2-3,6-9,14H,1,4-5,10-13H2,(H,24,27);1H.
What are the key properties of 2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride?
2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride has a molecular weight of 431.90 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 24783489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).