5-chloro-3-(3-chloropropyl)-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one

C18H16Cl2FNO2 — CID 66618494

IUPAC5-chloro-3-(3-chloropropyl)-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one
SMILESCOc1cc2c(cc1Cl)C(CCCCl)(c1ccccc1F)C(=O)N2
InChIInChI=1S/C18H16Cl2FNO2/c1-24-16-10-15-12(9-13(16)20)18(7-4-8-19,17(23)22-15)11-5-2-3-6-14(11)21/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,22,23)
InChIKeyCOYJKVWUHXGRRW-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.74
Rot. Bonds5

About 5-chloro-3-(3-chloropropyl)-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one

5-chloro-3-(3-chloropropyl)-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one (PubChem CID 66618494) has the molecular formula C18H16Cl2FNO2 and a molecular weight of 368.24 g/mol. Its IUPAC name is 5-chloro-3-(3-chloropropyl)-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-(3-chloropropyl)-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one
PubChem CID66618494
Molecular FormulaC18H16Cl2FNO2
Molecular Weight368.24 g/mol
Exact Mass367.05
IUPAC Name5-chloro-3-(3-chloropropyl)-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one
SMILESCOc1cc2c(cc1Cl)C(CCCCl)(c1ccccc1F)C(=O)N2
InChIInChI=1S/C18H16Cl2FNO2/c1-24-16-10-15-12(9-13(16)20)18(7-4-8-19,17(23)22-15)11-5-2-3-6-14(11)21/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,22,23)
InChIKeyCOYJKVWUHXGRRW-UHFFFAOYSA-N
XLogP4.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-chloropropyl)-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one?
The IUPAC name of 5-chloro-3-(3-chloropropyl)-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one (CID 66618494) is 5-chloro-3-(3-chloropropyl)-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-(3-chloropropyl)-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-(3-chloropropyl)-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one is COc1cc2c(cc1Cl)C(CCCCl)(c1ccccc1F)C(=O)N2.
What is the InChIKey of 5-chloro-3-(3-chloropropyl)-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one?
The InChIKey is COYJKVWUHXGRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FNO2/c1-24-16-10-15-12(9-13(16)20)18(7-4-8-19,17(23)22-15)11-5-2-3-6-14(11)21/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,22,23).
What are the key properties of 5-chloro-3-(3-chloropropyl)-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one?
5-chloro-3-(3-chloropropyl)-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one has a molecular weight of 368.24 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-chloropropyl)-3-(2-fluorophenyl)-6-methoxy-1H-indol-2-one is sourced from PubChem (CID 66618494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).