(3S)-3-(3-ethylindol-1-yl)-3-phenyl-2H-isoindol-1-one

C24H20N2O — CID 139188936

IUPAC(3S)-3-(3-ethylindol-1-yl)-3-phenyl-2H-isoindol-1-one
SMILESCCc1cn([C@]2(c3ccccc3)NC(=O)c3ccccc32)c2ccccc12
InChIInChI=1S/C24H20N2O/c1-2-17-16-26(22-15-9-7-12-19(17)22)24(18-10-4-3-5-11-18)21-14-8-6-13-20(21)23(27)25-24/h3-16H,2H2,1H3,(H,25,27)/t24-/m0/s1
InChIKeyWZYWRPFZYYMNPK-DEOSSOPVSA-N
MW352.44 g/mol
LogP4.70
Rot. Bonds3

About (3S)-3-(3-ethylindol-1-yl)-3-phenyl-2H-isoindol-1-one

(3S)-3-(3-ethylindol-1-yl)-3-phenyl-2H-isoindol-1-one (PubChem CID 139188936) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is (3S)-3-(3-ethylindol-1-yl)-3-phenyl-2H-isoindol-1-one.

Molecular Properties

Compound Name(3S)-3-(3-ethylindol-1-yl)-3-phenyl-2H-isoindol-1-one
PubChem CID139188936
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name(3S)-3-(3-ethylindol-1-yl)-3-phenyl-2H-isoindol-1-one
SMILESCCc1cn([C@]2(c3ccccc3)NC(=O)c3ccccc32)c2ccccc12
InChIInChI=1S/C24H20N2O/c1-2-17-16-26(22-15-9-7-12-19(17)22)24(18-10-4-3-5-11-18)21-14-8-6-13-20(21)23(27)25-24/h3-16H,2H2,1H3,(H,25,27)/t24-/m0/s1
InChIKeyWZYWRPFZYYMNPK-DEOSSOPVSA-N
XLogP4.70
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-ethylindol-1-yl)-3-phenyl-2H-isoindol-1-one?
The IUPAC name of (3S)-3-(3-ethylindol-1-yl)-3-phenyl-2H-isoindol-1-one (CID 139188936) is (3S)-3-(3-ethylindol-1-yl)-3-phenyl-2H-isoindol-1-one.
What is the SMILES notation for (3S)-3-(3-ethylindol-1-yl)-3-phenyl-2H-isoindol-1-one?
The canonical SMILES for (3S)-3-(3-ethylindol-1-yl)-3-phenyl-2H-isoindol-1-one is CCc1cn([C@]2(c3ccccc3)NC(=O)c3ccccc32)c2ccccc12.
What is the InChIKey of (3S)-3-(3-ethylindol-1-yl)-3-phenyl-2H-isoindol-1-one?
The InChIKey is WZYWRPFZYYMNPK-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H20N2O/c1-2-17-16-26(22-15-9-7-12-19(17)22)24(18-10-4-3-5-11-18)21-14-8-6-13-20(21)23(27)25-24/h3-16H,2H2,1H3,(H,25,27)/t24-/m0/s1.
What are the key properties of (3S)-3-(3-ethylindol-1-yl)-3-phenyl-2H-isoindol-1-one?
(3S)-3-(3-ethylindol-1-yl)-3-phenyl-2H-isoindol-1-one has a molecular weight of 352.44 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-ethylindol-1-yl)-3-phenyl-2H-isoindol-1-one is sourced from PubChem (CID 139188936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).