(2Z)-2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1H-indol-3-one

C24H19BrClNO3 — CID 21213545

IUPAC(2Z)-2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1H-indol-3-one
SMILESCCOc1cc(/C=C2\Nc3ccccc3C2=O)cc(Br)c1OCc1ccccc1Cl
InChIInChI=1S/C24H19BrClNO3/c1-2-29-22-13-15(12-21-23(28)17-8-4-6-10-20(17)27-21)11-18(25)24(22)30-14-16-7-3-5-9-19(16)26/h3-13,27H,2,14H2,1H3/b21-12-
InChIKeyCXKDNVAXHGWZQE-MTJSOVHGSA-N
MW484.78 g/mol
LogP6.73
Rot. Bonds6

About (2Z)-2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1H-indol-3-one

(2Z)-2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1H-indol-3-one (PubChem CID 21213545) has the molecular formula C24H19BrClNO3 and a molecular weight of 484.78 g/mol. Its IUPAC name is (2Z)-2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1H-indol-3-one.

Molecular Properties

Compound Name(2Z)-2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1H-indol-3-one
PubChem CID21213545
Molecular FormulaC24H19BrClNO3
Molecular Weight484.78 g/mol
Exact Mass483.02
IUPAC Name(2Z)-2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1H-indol-3-one
SMILESCCOc1cc(/C=C2\Nc3ccccc3C2=O)cc(Br)c1OCc1ccccc1Cl
InChIInChI=1S/C24H19BrClNO3/c1-2-29-22-13-15(12-21-23(28)17-8-4-6-10-20(17)27-21)11-18(25)24(22)30-14-16-7-3-5-9-19(16)26/h3-13,27H,2,14H2,1H3/b21-12-
InChIKeyCXKDNVAXHGWZQE-MTJSOVHGSA-N
XLogP6.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.78
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z)-2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1H-indol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-5-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126180738
(3Z)-3-[[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one
CID 126118242
methyl (E)-3-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]prop-2-enoate
CID 102535059
5-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 4070399
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575561
(5Z)-5-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126336034
(5E)-5-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137136538
(5Z)-5-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137069810
(1S,2S,6R,7S)-4-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 100814885
(5E)-5-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 126379400
(5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126174202
(5Z)-5-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126178097

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1H-indol-3-one?
The IUPAC name of (2Z)-2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1H-indol-3-one (CID 21213545) is (2Z)-2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1H-indol-3-one.
What is the SMILES notation for (2Z)-2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1H-indol-3-one?
The canonical SMILES for (2Z)-2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1H-indol-3-one is CCOc1cc(/C=C2\Nc3ccccc3C2=O)cc(Br)c1OCc1ccccc1Cl.
What is the InChIKey of (2Z)-2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1H-indol-3-one?
The InChIKey is CXKDNVAXHGWZQE-MTJSOVHGSA-N. The full InChI is InChI=1S/C24H19BrClNO3/c1-2-29-22-13-15(12-21-23(28)17-8-4-6-10-20(17)27-21)11-18(25)24(22)30-14-16-7-3-5-9-19(16)26/h3-13,27H,2,14H2,1H3/b21-12-.
What are the key properties of (2Z)-2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1H-indol-3-one?
(2Z)-2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1H-indol-3-one has a molecular weight of 484.78 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1H-indol-3-one is sourced from PubChem (CID 21213545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).