5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one

C18H16ClNO3 — CID 3150797

IUPAC5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESCCc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C18H16ClNO3/c1-2-11-3-5-12(6-4-11)16(21)10-18(23)14-9-13(19)7-8-15(14)20-17(18)22/h3-9,23H,2,10H2,1H3,(H,20,22)
InChIKeyRMJYSBLIVDSWHW-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.32
Rot. Bonds4

About 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one

5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (PubChem CID 3150797) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
PubChem CID3150797
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESCCc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C18H16ClNO3/c1-2-11-3-5-12(6-4-11)16(21)10-18(23)14-9-13(19)7-8-15(14)20-17(18)22/h3-9,23H,2,10H2,1H3,(H,20,22)
InChIKeyRMJYSBLIVDSWHW-UHFFFAOYSA-N
XLogP3.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (CID 3150797) is 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is CCc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(Cl)cc32)cc1.
What is the InChIKey of 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The InChIKey is RMJYSBLIVDSWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-2-11-3-5-12(6-4-11)16(21)10-18(23)14-9-13(19)7-8-15(14)20-17(18)22/h3-9,23H,2,10H2,1H3,(H,20,22).
What are the key properties of 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one has a molecular weight of 329.78 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 3150797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).