3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one

C17H16ClNO2 — CID 126473327

IUPAC3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one
SMILESCCC1(c2ccc(Cl)cc2)C(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C17H16ClNO2/c1-3-17(11-4-6-12(18)7-5-11)14-10-13(21-2)8-9-15(14)19-16(17)20/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyLUYSFQRABAYMEJ-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.00
Rot. Bonds3

About 3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one

3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one (PubChem CID 126473327) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one
PubChem CID126473327
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one
SMILESCCC1(c2ccc(Cl)cc2)C(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C17H16ClNO2/c1-3-17(11-4-6-12(18)7-5-11)14-10-13(21-2)8-9-15(14)19-16(17)20/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyLUYSFQRABAYMEJ-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one?
The IUPAC name of 3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one (CID 126473327) is 3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one is CCC1(c2ccc(Cl)cc2)C(=O)Nc2ccc(OC)cc21.
What is the InChIKey of 3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one?
The InChIKey is LUYSFQRABAYMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-3-17(11-4-6-12(18)7-5-11)14-10-13(21-2)8-9-15(14)19-16(17)20/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one?
3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one has a molecular weight of 301.77 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one is sourced from PubChem (CID 126473327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).