2-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-1,3-dioxoisoindole-5-carboxamide

C25H18ClN3O3 — CID 108750516

IUPAC2-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCCn1ccc2ccccc21)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O
InChIInChI=1S/C25H18ClN3O3/c26-20-6-2-4-8-22(20)29-24(31)18-10-9-17(15-19(18)25(29)32)23(30)27-12-14-28-13-11-16-5-1-3-7-21(16)28/h1-11,13,15H,12,14H2,(H,27,30)
InChIKeyWSZVRFDCTDLCDA-UHFFFAOYSA-N
MW443.89 g/mol
LogP4.53
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-1,3-dioxoisoindole-5-carboxamide

2-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 108750516) has the molecular formula C25H18ClN3O3 and a molecular weight of 443.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID108750516
Molecular FormulaC25H18ClN3O3
Molecular Weight443.89 g/mol
Exact Mass443.10
IUPAC Name2-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCCn1ccc2ccccc21)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O
InChIInChI=1S/C25H18ClN3O3/c26-20-6-2-4-8-22(20)29-24(31)18-10-9-17(15-19(18)25(29)32)23(30)27-12-14-28-13-11-16-5-1-3-7-21(16)28/h1-11,13,15H,12,14H2,(H,27,30)
InChIKeyWSZVRFDCTDLCDA-UHFFFAOYSA-N
XLogP4.53
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 54.53
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-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 53368524
N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768
4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide
CID 4625007
N-(2-indol-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 71703482
methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2336595
2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride
CID 24783489
2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide
CID 110732646
2-oxopropyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1218329
3-ethoxy-N-(2-indol-1-ylethyl)benzamide
CID 108726430
3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide
CID 108750509
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
2-(2-fluorophenyl)-1,3-dioxo-N-(3-pyrrolidin-1-ylpropyl)isoindole-5-carboxamide;hydrochloride
CID 24783746

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-1,3-dioxoisoindole-5-carboxamide (CID 108750516) is 2-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-1,3-dioxoisoindole-5-carboxamide is O=C(NCCn1ccc2ccccc21)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is WSZVRFDCTDLCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O3/c26-20-6-2-4-8-22(20)29-24(31)18-10-9-17(15-19(18)25(29)32)23(30)27-12-14-28-13-11-16-5-1-3-7-21(16)28/h1-11,13,15H,12,14H2,(H,27,30).
What are the key properties of 2-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-1,3-dioxoisoindole-5-carboxamide?
2-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 443.89 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 108750516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).