(3Z)-5-bromo-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one

C19H11Br2NO2 — CID 71511448

IUPAC(3Z)-5-bromo-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=C/c1ccc(-c2cccc(Br)c2)o1
InChIInChI=1S/C19H11Br2NO2/c20-12-3-1-2-11(8-12)18-7-5-14(24-18)10-16-15-9-13(21)4-6-17(15)22-19(16)23/h1-10H,(H,22,23)/b16-10-
InChIKeyDIDOHHMZJZGAQO-YBEGLDIGSA-N
MW445.11 g/mol
LogP5.96
Rot. Bonds2

About (3Z)-5-bromo-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one

(3Z)-5-bromo-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one (PubChem CID 71511448) has the molecular formula C19H11Br2NO2 and a molecular weight of 445.11 g/mol. Its IUPAC name is (3Z)-5-bromo-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-bromo-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one
PubChem CID71511448
Molecular FormulaC19H11Br2NO2
Molecular Weight445.11 g/mol
Exact Mass442.92
IUPAC Name(3Z)-5-bromo-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=C/c1ccc(-c2cccc(Br)c2)o1
InChIInChI=1S/C19H11Br2NO2/c20-12-3-1-2-11(8-12)18-7-5-14(24-18)10-16-15-9-13(21)4-6-17(15)22-19(16)23/h1-10H,(H,22,23)/b16-10-
InChIKeyDIDOHHMZJZGAQO-YBEGLDIGSA-N
XLogP5.96
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.11
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-bromo-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-bromo-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one (CID 71511448) is (3Z)-5-bromo-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-bromo-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-bromo-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one is O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(-c2cccc(Br)c2)o1.
What is the InChIKey of (3Z)-5-bromo-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
The InChIKey is DIDOHHMZJZGAQO-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H11Br2NO2/c20-12-3-1-2-11(8-12)18-7-5-14(24-18)10-16-15-9-13(21)4-6-17(15)22-19(16)23/h1-10H,(H,22,23)/b16-10-.
What are the key properties of (3Z)-5-bromo-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one?
(3Z)-5-bromo-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one has a molecular weight of 445.11 g/mol, XLogP of 5.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-bromo-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 71511448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).