7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione

C20H14ClNO3 — CID 18803525

IUPAC7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCOc2ccc3ccccc3c2)c2c(Cl)cccc21
InChIInChI=1S/C20H14ClNO3/c21-17-7-3-6-16-18(17)22(20(24)19(16)23)10-11-25-15-9-8-13-4-1-2-5-14(13)12-15/h1-9,12H,10-11H2
InChIKeyXYFOJCIFNVBURF-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.10
Rot. Bonds4

About 7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione

7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione (PubChem CID 18803525) has the molecular formula C20H14ClNO3 and a molecular weight of 351.79 g/mol. Its IUPAC name is 7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione.

Molecular Properties

Compound Name7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione
PubChem CID18803525
Molecular FormulaC20H14ClNO3
Molecular Weight351.79 g/mol
Exact Mass351.07
IUPAC Name7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCOc2ccc3ccccc3c2)c2c(Cl)cccc21
InChIInChI=1S/C20H14ClNO3/c21-17-7-3-6-16-18(17)22(20(24)19(16)23)10-11-25-15-9-8-13-4-1-2-5-14(13)12-15/h1-9,12H,10-11H2
InChIKeyXYFOJCIFNVBURF-UHFFFAOYSA-N
XLogP4.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.10
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 7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione?
The IUPAC name of 7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione (CID 18803525) is 7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione.
What is the SMILES notation for 7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione?
The canonical SMILES for 7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione is O=C1C(=O)N(CCOc2ccc3ccccc3c2)c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione?
The InChIKey is XYFOJCIFNVBURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO3/c21-17-7-3-6-16-18(17)22(20(24)19(16)23)10-11-25-15-9-8-13-4-1-2-5-14(13)12-15/h1-9,12H,10-11H2.
What are the key properties of 7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione?
7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione has a molecular weight of 351.79 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione is sourced from PubChem (CID 18803525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).