2-(5-chloro-1-methyl-2-phenylindol-3-yl)isoindole-1,3-dione

C23H15ClN2O2 — CID 138973143

IUPAC2-(5-chloro-1-methyl-2-phenylindol-3-yl)isoindole-1,3-dione
SMILESCn1c(-c2ccccc2)c(N2C(=O)c3ccccc3C2=O)c2cc(Cl)ccc21
InChIInChI=1S/C23H15ClN2O2/c1-25-19-12-11-15(24)13-18(19)21(20(25)14-7-3-2-4-8-14)26-22(27)16-9-5-6-10-17(16)23(26)28/h2-13H,1H3
InChIKeyLBSSYMNAMXQJLA-UHFFFAOYSA-N
MW386.84 g/mol
LogP5.30
Rot. Bonds2

About 2-(5-chloro-1-methyl-2-phenylindol-3-yl)isoindole-1,3-dione

2-(5-chloro-1-methyl-2-phenylindol-3-yl)isoindole-1,3-dione (PubChem CID 138973143) has the molecular formula C23H15ClN2O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-(5-chloro-1-methyl-2-phenylindol-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-chloro-1-methyl-2-phenylindol-3-yl)isoindole-1,3-dione
PubChem CID138973143
Molecular FormulaC23H15ClN2O2
Molecular Weight386.84 g/mol
Exact Mass386.08
IUPAC Name2-(5-chloro-1-methyl-2-phenylindol-3-yl)isoindole-1,3-dione
SMILESCn1c(-c2ccccc2)c(N2C(=O)c3ccccc3C2=O)c2cc(Cl)ccc21
InChIInChI=1S/C23H15ClN2O2/c1-25-19-12-11-15(24)13-18(19)21(20(25)14-7-3-2-4-8-14)26-22(27)16-9-5-6-10-17(16)23(26)28/h2-13H,1H3
InChIKeyLBSSYMNAMXQJLA-UHFFFAOYSA-N
XLogP5.30
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.84
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide
CID 56950152
2-{5-[4-(5-Chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pentyl}-isoindole-1,3-dione
CID 44353233
7-Chloro-10-[(4-methylpiperazin-1-yl)methyl]-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15,17,19-nonaen-14-one
CID 49863812
3-benzyl-8-chloro-10-methyl-2H-pyrazino[1,2-a]indol-1-one
CID 145975018
(5-chloro-1-methyl-1H-indol-2-yl)(4-phenylpiperazin-1-yl)methanone
CID 5029022
2-[4-(3,4-Dihydro-1H-pyrazino[1,2-a]indol-2-yl)-butyl]-isoindole-1,3-dione
CID 44377759
2-[3-(5-chloro-1H-indol-3-yl)propyl]-1H-isoindole-1,3(2H)-dione
CID 739306
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
CID 1951564
[3-[(4-Chlorophenyl)iminomethyl]indol-1-yl]-phenylmethanone
CID 57391368
(3E)-3-[(1-benzyl-2-chloroindol-3-yl)methylidene]-1H-indol-2-one
CID 90670848
(3E)-3-[[2-chloro-1-(3-phenylpropyl)indol-3-yl]methylidene]-1H-indol-2-one
CID 90670850
(3E)-5-chloro-3-[[2-chloro-1-(3-phenylpropyl)indol-3-yl]methylidene]-1H-indol-2-one
CID 90670851

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methyl-2-phenylindol-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(5-chloro-1-methyl-2-phenylindol-3-yl)isoindole-1,3-dione (CID 138973143) is 2-(5-chloro-1-methyl-2-phenylindol-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(5-chloro-1-methyl-2-phenylindol-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(5-chloro-1-methyl-2-phenylindol-3-yl)isoindole-1,3-dione is Cn1c(-c2ccccc2)c(N2C(=O)c3ccccc3C2=O)c2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-methyl-2-phenylindol-3-yl)isoindole-1,3-dione?
The InChIKey is LBSSYMNAMXQJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O2/c1-25-19-12-11-15(24)13-18(19)21(20(25)14-7-3-2-4-8-14)26-22(27)16-9-5-6-10-17(16)23(26)28/h2-13H,1H3.
What are the key properties of 2-(5-chloro-1-methyl-2-phenylindol-3-yl)isoindole-1,3-dione?
2-(5-chloro-1-methyl-2-phenylindol-3-yl)isoindole-1,3-dione has a molecular weight of 386.84 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methyl-2-phenylindol-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 138973143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).