(3Z)-N-benzyl-3-[(3,5-dibromo-4-methylphenyl)methylidene]-2-oxo-1H-indole-5-carboxamide

C24H18Br2N2O2 — CID 59963991

IUPAC(3Z)-N-benzyl-3-[(3,5-dibromo-4-methylphenyl)methylidene]-2-oxo-1H-indole-5-carboxamide
SMILESCc1c(Br)cc(/C=C2\C(=O)Nc3ccc(C(=O)NCc4ccccc4)cc32)cc1Br
InChIInChI=1S/C24H18Br2N2O2/c1-14-20(25)10-16(11-21(14)26)9-19-18-12-17(7-8-22(18)28-24(19)30)23(29)27-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,27,29)(H,28,30)/b19-9-
InChIKeyMKOWLKRMBXFNSD-OCKHKDLRSA-N
MW526.23 g/mol
LogP5.94
Rot. Bonds4

About (3Z)-N-benzyl-3-[(3,5-dibromo-4-methylphenyl)methylidene]-2-oxo-1H-indole-5-carboxamide

(3Z)-N-benzyl-3-[(3,5-dibromo-4-methylphenyl)methylidene]-2-oxo-1H-indole-5-carboxamide (PubChem CID 59963991) has the molecular formula C24H18Br2N2O2 and a molecular weight of 526.23 g/mol. Its IUPAC name is (3Z)-N-benzyl-3-[(3,5-dibromo-4-methylphenyl)methylidene]-2-oxo-1H-indole-5-carboxamide.

Molecular Properties

Compound Name(3Z)-N-benzyl-3-[(3,5-dibromo-4-methylphenyl)methylidene]-2-oxo-1H-indole-5-carboxamide
PubChem CID59963991
Molecular FormulaC24H18Br2N2O2
Molecular Weight526.23 g/mol
Exact Mass523.97
IUPAC Name(3Z)-N-benzyl-3-[(3,5-dibromo-4-methylphenyl)methylidene]-2-oxo-1H-indole-5-carboxamide
SMILESCc1c(Br)cc(/C=C2\C(=O)Nc3ccc(C(=O)NCc4ccccc4)cc32)cc1Br
InChIInChI=1S/C24H18Br2N2O2/c1-14-20(25)10-16(11-21(14)26)9-19-18-12-17(7-8-22(18)28-24(19)30)23(29)27-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,27,29)(H,28,30)/b19-9-
InChIKeyMKOWLKRMBXFNSD-OCKHKDLRSA-N
XLogP5.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.23
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-N-benzyl-3-[(3,5-dibromo-4-methylphenyl)methylidene]-2-oxo-1H-indole-5-carboxamide 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

3-[(3,5-dibromo-4-methylphenyl)methylidene]-5-(2,2,2-trifluoroacetyl)-1H-indol-2-one
CID 72608344
(3Z)-N-benzyl-3-[[3,5-dimethyl-4-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-carboxamide
CID 144790311
3-[(3,5-dibromo-4-methylphenyl)methylidene]-N-(2-hydroxyethyl)-2-oxo-1H-indole-5-carboxamide;3-[(3,5-dibromo-4-methylphenyl)methylidene]-6-isocyano-1H-indol-2-one;2-[3-[(3,5-dibromo-4-methylphenyl)methylidene]-2-oxo-1H-indol-5-yl]benzonitrile
CID 91482514
3-[(4-chlorophenyl)methylidene]-2,4-dioxo-N-(pyridin-3-ylmethyl)-1H-quinoline-6-carboxamide
CID 91445615
(3E)-3-[(3,4-difluorophenyl)methylidene]-2,4-dioxo-N-(pyridin-4-ylmethyl)-1H-quinoline-6-carboxamide
CID 158555127
3-[(3,4-difluorophenyl)methylidene]-2,4-dioxo-N-(pyridin-4-ylmethyl)-1H-quinoline-6-carboxamide
CID 91176462
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-(2,2,2-trifluoroacetyl)-1H-indol-2-one
CID 72608342
3-[(3,5-dibromo-4-methylphenyl)methylidene]-5-thiophen-3-yl-1H-indol-2-one
CID 72608334
CID 169174856
CID 169174856
N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614366
3-[(4-chloro-3-fluorophenyl)methylidene]-2,4-dioxo-N-(pyridin-3-ylmethyl)-1H-quinoline-6-carboxamide
CID 91265313
5-benzoyl-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 54393078

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-benzyl-3-[(3,5-dibromo-4-methylphenyl)methylidene]-2-oxo-1H-indole-5-carboxamide?
The IUPAC name of (3Z)-N-benzyl-3-[(3,5-dibromo-4-methylphenyl)methylidene]-2-oxo-1H-indole-5-carboxamide (CID 59963991) is (3Z)-N-benzyl-3-[(3,5-dibromo-4-methylphenyl)methylidene]-2-oxo-1H-indole-5-carboxamide.
What is the SMILES notation for (3Z)-N-benzyl-3-[(3,5-dibromo-4-methylphenyl)methylidene]-2-oxo-1H-indole-5-carboxamide?
The canonical SMILES for (3Z)-N-benzyl-3-[(3,5-dibromo-4-methylphenyl)methylidene]-2-oxo-1H-indole-5-carboxamide is Cc1c(Br)cc(/C=C2\C(=O)Nc3ccc(C(=O)NCc4ccccc4)cc32)cc1Br.
What is the InChIKey of (3Z)-N-benzyl-3-[(3,5-dibromo-4-methylphenyl)methylidene]-2-oxo-1H-indole-5-carboxamide?
The InChIKey is MKOWLKRMBXFNSD-OCKHKDLRSA-N. The full InChI is InChI=1S/C24H18Br2N2O2/c1-14-20(25)10-16(11-21(14)26)9-19-18-12-17(7-8-22(18)28-24(19)30)23(29)27-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,27,29)(H,28,30)/b19-9-.
What are the key properties of (3Z)-N-benzyl-3-[(3,5-dibromo-4-methylphenyl)methylidene]-2-oxo-1H-indole-5-carboxamide?
(3Z)-N-benzyl-3-[(3,5-dibromo-4-methylphenyl)methylidene]-2-oxo-1H-indole-5-carboxamide has a molecular weight of 526.23 g/mol, XLogP of 5.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-benzyl-3-[(3,5-dibromo-4-methylphenyl)methylidene]-2-oxo-1H-indole-5-carboxamide is sourced from PubChem (CID 59963991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).