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

C17H14ClNO4 — CID 2928070

IUPAC5-chloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESCOc1cccc(C(=O)CC2(O)C(=O)Nc3ccc(Cl)cc32)c1
InChIInChI=1S/C17H14ClNO4/c1-23-12-4-2-3-10(7-12)15(20)9-17(22)13-8-11(18)5-6-14(13)19-16(17)21/h2-8,22H,9H2,1H3,(H,19,21)
InChIKeySRQCVZDPIDPYHZ-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.76
Rot. Bonds4

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

5-chloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one (PubChem CID 2928070) has the molecular formula C17H14ClNO4 and a molecular weight of 331.76 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
PubChem CID2928070
Molecular FormulaC17H14ClNO4
Molecular Weight331.76 g/mol
Exact Mass331.06
IUPAC Name5-chloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESCOc1cccc(C(=O)CC2(O)C(=O)Nc3ccc(Cl)cc32)c1
InChIInChI=1S/C17H14ClNO4/c1-23-12-4-2-3-10(7-12)15(20)9-17(22)13-8-11(18)5-6-14(13)19-16(17)21/h2-8,22H,9H2,1H3,(H,19,21)
InChIKeySRQCVZDPIDPYHZ-UHFFFAOYSA-N
XLogP2.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one (CID 2928070) is 5-chloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one is COc1cccc(C(=O)CC2(O)C(=O)Nc3ccc(Cl)cc32)c1.
What is the InChIKey of 5-chloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The InChIKey is SRQCVZDPIDPYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4/c1-23-12-4-2-3-10(7-12)15(20)9-17(22)13-8-11(18)5-6-14(13)19-16(17)21/h2-8,22H,9H2,1H3,(H,19,21).
What are the key properties of 5-chloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
5-chloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one has a molecular weight of 331.76 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 2928070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).