(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'}

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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).