(3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-pyridin-2-yl-1H-indol-2-one

C20H12Cl2N2O2 — CID 155543690

IUPAC(3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-pyridin-2-yl-1H-indol-2-one
SMILESO=C1Nc2ccc(-c3ccccn3)cc2/C1=C/c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C20H12Cl2N2O2/c21-15-8-11(9-16(22)19(15)25)7-14-13-10-12(17-3-1-2-6-23-17)4-5-18(13)24-20(14)26/h1-10,25H,(H,24,26)/b14-7-
InChIKeyJNVJLRQWNNLVHO-AUWJEWJLSA-N
MW383.23 g/mol
LogP5.25
Rot. Bonds2

About (3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-pyridin-2-yl-1H-indol-2-one

(3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-pyridin-2-yl-1H-indol-2-one (PubChem CID 155543690) has the molecular formula C20H12Cl2N2O2 and a molecular weight of 383.23 g/mol. Its IUPAC name is (3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-pyridin-2-yl-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-pyridin-2-yl-1H-indol-2-one
PubChem CID155543690
Molecular FormulaC20H12Cl2N2O2
Molecular Weight383.23 g/mol
Exact Mass382.03
IUPAC Name(3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-pyridin-2-yl-1H-indol-2-one
SMILESO=C1Nc2ccc(-c3ccccn3)cc2/C1=C/c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C20H12Cl2N2O2/c21-15-8-11(9-16(22)19(15)25)7-14-13-10-12(17-3-1-2-6-23-17)4-5-18(13)24-20(14)26/h1-10,25H,(H,24,26)/b14-7-
InChIKeyJNVJLRQWNNLVHO-AUWJEWJLSA-N
XLogP5.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.23
LogP ≤ 55.25
H-Bond Donors ≤ 52
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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Related Compounds

2-(3-chloro-4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 16221581
1-(6-(3,5-Dichloro-4-hydroxyphenyl)-4-((4-(pyrrolidin-1-ylmethyl)phenyl)amino)quinolin-3-yl)ethanone
CID 68092147
4-[[3-Acetyl-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-4-yl]amino]benzamide
CID 89753728
(2E)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CID 6063531
2-(3-chloro-4-hydroxy-phenyl)-N-[2-(2-pyridyl)ethyl]acetamide
CID 122178856
3-chloro-2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 177656436
3-chloro-2-hydroxy-5-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 71864110
3-Chloro-4-hydroxybenzamide;[1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]methanimine
CID 142003409
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)benzamide
CID 308267
N-(3,5-dichloro-4-hydroxyphenyl)-2-pentylpyridine-4-carboxamide
CID 10665742
(2E,4E)-5-(3,5-dichloro-4-hydroxyphenyl)-N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]penta-2,4-dienamide
CID 10696219
(2E,4E)-5-(3-chloro-4-hydroxyphenyl)-N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]penta-2,4-dienamide
CID 10742167

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-pyridin-2-yl-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-pyridin-2-yl-1H-indol-2-one (CID 155543690) is (3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-pyridin-2-yl-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-pyridin-2-yl-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-pyridin-2-yl-1H-indol-2-one is O=C1Nc2ccc(-c3ccccn3)cc2/C1=C/c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of (3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-pyridin-2-yl-1H-indol-2-one?
The InChIKey is JNVJLRQWNNLVHO-AUWJEWJLSA-N. The full InChI is InChI=1S/C20H12Cl2N2O2/c21-15-8-11(9-16(22)19(15)25)7-14-13-10-12(17-3-1-2-6-23-17)4-5-18(13)24-20(14)26/h1-10,25H,(H,24,26)/b14-7-.
What are the key properties of (3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-pyridin-2-yl-1H-indol-2-one?
(3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-pyridin-2-yl-1H-indol-2-one has a molecular weight of 383.23 g/mol, XLogP of 5.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-pyridin-2-yl-1H-indol-2-one is sourced from PubChem (CID 155543690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).