2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride

C19H24ClN3O3 — CID 119450760

IUPAC2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C19H23N3O3.ClH/c23-17(21-13-8-9-20-11-13)12-6-7-15-16(10-12)19(25)22(18(15)24)14-4-2-1-3-5-14;/h6-7,10,13-14,20H,1-5,8-9,11H2,(H,21,23);1H
InChIKeySNMFWNXGPOHJIO-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.13
Rot. Bonds3

About 2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride

2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride (PubChem CID 119450760) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride
PubChem CID119450760
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C19H23N3O3.ClH/c23-17(21-13-8-9-20-11-13)12-6-7-15-16(10-12)19(25)22(18(15)24)14-4-2-1-3-5-14;/h6-7,10,13-14,20H,1-5,8-9,11H2,(H,21,23);1H
InChIKeySNMFWNXGPOHJIO-UHFFFAOYSA-N
XLogP2.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.13
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

2-cyclohexyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 120946132
2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide
CID 55534849
2-cyclohexyl-1,3-dioxo-N-(3-piperazin-1-ylpropyl)isoindole-5-carboxamide;hydrochloride
CID 119391733
2-cyclohexyl-1,3-dioxo-N-(pyrrolidin-2-ylmethyl)isoindole-5-carboxamide
CID 119511117
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
CID 119171454
N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119627052
N-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 26289841
2-cyclohexyl-N-(2-hydroxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 78855304
2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108540506
2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108540023
N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9213923

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride?
The IUPAC name of 2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride (CID 119450760) is 2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of 2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride?
The InChIKey is SNMFWNXGPOHJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.ClH/c23-17(21-13-8-9-20-11-13)12-6-7-15-16(10-12)19(25)22(18(15)24)14-4-2-1-3-5-14;/h6-7,10,13-14,20H,1-5,8-9,11H2,(H,21,23);1H.
What are the key properties of 2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride?
2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119450760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).