N-(1-cyanocyclopentyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide

C22H19N3O3 — CID 86978977

IUPACN-(1-cyanocyclopentyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
SMILESN#CC1(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)CCCC1
InChIInChI=1S/C22H19N3O3/c23-14-22(10-3-4-11-22)24-19(26)16-7-5-6-15(12-16)13-25-20(27)17-8-1-2-9-18(17)21(25)28/h1-2,5-9,12H,3-4,10-11,13H2,(H,24,26)
InChIKeyNNBGUSGJKULGKD-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.05
Rot. Bonds4

About N-(1-cyanocyclopentyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide

N-(1-cyanocyclopentyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide (PubChem CID 86978977) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
PubChem CID86978977
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-(1-cyanocyclopentyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
SMILESN#CC1(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)CCCC1
InChIInChI=1S/C22H19N3O3/c23-14-22(10-3-4-11-22)24-19(26)16-7-5-6-15(12-16)13-25-20(27)17-8-1-2-9-18(17)21(25)28/h1-2,5-9,12H,3-4,10-11,13H2,(H,24,26)
InChIKeyNNBGUSGJKULGKD-UHFFFAOYSA-N
XLogP3.05
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.05
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

N-[4-(cyanomethyl)phenyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9260427
N-(1-cyanocyclopentyl)-3-iodobenzamide
CID 60659200
N-(1-cyanocycloheptyl)-3-iodobenzamide
CID 54904742
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 8762375
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide
CID 51548115
1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide
CID 78830290
N-(1-cyanocyclobutyl)-3-iodobenzamide
CID 61400585
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55554837
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258
N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide
CID 9330916
3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide
CID 55334448
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 119458289

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The IUPAC name of N-(1-cyanocyclopentyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide (CID 86978977) is N-(1-cyanocyclopentyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide is N#CC1(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The InChIKey is NNBGUSGJKULGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c23-14-22(10-3-4-11-22)24-19(26)16-7-5-6-15(12-16)13-25-20(27)17-8-1-2-9-18(17)21(25)28/h1-2,5-9,12H,3-4,10-11,13H2,(H,24,26).
What are the key properties of N-(1-cyanocyclopentyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
N-(1-cyanocyclopentyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide has a molecular weight of 373.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide is sourced from PubChem (CID 86978977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).