(3Z)-5-chloro-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one

C21H23ClN2O2 — CID 71452399

IUPAC(3Z)-5-chloro-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one
SMILESCCN(CC)CCOc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C21H23ClN2O2/c1-3-24(4-2)11-12-26-17-8-5-15(6-9-17)13-19-18-14-16(22)7-10-20(18)23-21(19)25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,25)/b19-13-
InChIKeyLVFMFLDRHODBJZ-UYRXBGFRSA-N
MW370.88 g/mol
LogP4.55
Rot. Bonds7

About (3Z)-5-chloro-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one

(3Z)-5-chloro-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one (PubChem CID 71452399) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is (3Z)-5-chloro-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-chloro-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one
PubChem CID71452399
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name(3Z)-5-chloro-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one
SMILESCCN(CC)CCOc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C21H23ClN2O2/c1-3-24(4-2)11-12-26-17-8-5-15(6-9-17)13-19-18-14-16(22)7-10-20(18)23-21(19)25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,25)/b19-13-
InChIKeyLVFMFLDRHODBJZ-UYRXBGFRSA-N
XLogP4.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-chloro-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-chloro-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one (CID 71452399) is (3Z)-5-chloro-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-chloro-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-chloro-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one is CCN(CC)CCOc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1.
What is the InChIKey of (3Z)-5-chloro-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one?
The InChIKey is LVFMFLDRHODBJZ-UYRXBGFRSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-3-24(4-2)11-12-26-17-8-5-15(6-9-17)13-19-18-14-16(22)7-10-20(18)23-21(19)25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,25)/b19-13-.
What are the key properties of (3Z)-5-chloro-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one?
(3Z)-5-chloro-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one has a molecular weight of 370.88 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 71452399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).