5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione

C16H19ClN2O2 — CID 79342508

IUPAC5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione
SMILESCCN(c1cc2c(cc1Cl)C(=O)C(=O)N2)C1CCCCC1
InChIInChI=1S/C16H19ClN2O2/c1-2-19(10-6-4-3-5-7-10)14-9-13-11(8-12(14)17)15(20)16(21)18-13/h8-10H,2-7H2,1H3,(H,18,20,21)
InChIKeyDYPUGZNCMMUCNI-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.63
Rot. Bonds3

About 5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione

5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione (PubChem CID 79342508) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione
PubChem CID79342508
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione
SMILESCCN(c1cc2c(cc1Cl)C(=O)C(=O)N2)C1CCCCC1
InChIInChI=1S/C16H19ClN2O2/c1-2-19(10-6-4-3-5-7-10)14-9-13-11(8-12(14)17)15(20)16(21)18-13/h8-10H,2-7H2,1H3,(H,18,20,21)
InChIKeyDYPUGZNCMMUCNI-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione
CID 43586415
5-chloro-6-(dipropylamino)-1H-indole-2,3-dione
CID 79336156
6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80746568
5-chloro-6-[methyl(thiolan-3-yl)amino]-1H-indole-2,3-dione
CID 79336016
5-chloro-6-(2-ethylpiperidin-1-yl)-1H-indole-2,3-dione
CID 79336366
6-[bis(2-methoxyethyl)amino]-5-chloro-1H-indole-2,3-dione
CID 79342525
5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione
CID 79342976
5-chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione
CID 79342747
3-[(5-chloro-2,3-dioxo-1H-indol-6-yl)-methylamino]butanenitrile
CID 79335888
2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline
CID 28965176
3-[(5-chloro-2,3-dioxo-1H-indol-6-yl)-methylamino]propanenitrile
CID 79336709
5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione
CID 79343460

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione?
The IUPAC name of 5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione (CID 79342508) is 5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione?
The canonical SMILES for 5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione is CCN(c1cc2c(cc1Cl)C(=O)C(=O)N2)C1CCCCC1.
What is the InChIKey of 5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione?
The InChIKey is DYPUGZNCMMUCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-2-19(10-6-4-3-5-7-10)14-9-13-11(8-12(14)17)15(20)16(21)18-13/h8-10H,2-7H2,1H3,(H,18,20,21).
What are the key properties of 5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione?
5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione has a molecular weight of 306.79 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione is sourced from PubChem (CID 79342508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).