4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione

C14H17ClN2O2 — CID 61357369

IUPAC4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione
SMILESCCN(CC)CCN1C(=O)C(=O)c2c(Cl)cccc21
InChIInChI=1S/C14H17ClN2O2/c1-3-16(4-2)8-9-17-11-7-5-6-10(15)12(11)13(18)14(17)19/h5-7H,3-4,8-9H2,1-2H3
InChIKeyGFAUZDLQIZZSAT-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.21
Rot. Bonds5

About 4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione

4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione (PubChem CID 61357369) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione
PubChem CID61357369
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione
SMILESCCN(CC)CCN1C(=O)C(=O)c2c(Cl)cccc21
InChIInChI=1S/C14H17ClN2O2/c1-3-16(4-2)8-9-17-11-7-5-6-10(15)12(11)13(18)14(17)19/h5-7H,3-4,8-9H2,1-2H3
InChIKeyGFAUZDLQIZZSAT-UHFFFAOYSA-N
XLogP2.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione?
The IUPAC name of 4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione (CID 61357369) is 4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione.
What is the SMILES notation for 4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione?
The canonical SMILES for 4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione is CCN(CC)CCN1C(=O)C(=O)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione?
The InChIKey is GFAUZDLQIZZSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-3-16(4-2)8-9-17-11-7-5-6-10(15)12(11)13(18)14(17)19/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of 4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione?
4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione has a molecular weight of 280.75 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione is sourced from PubChem (CID 61357369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).