3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one

C19H11BrClNO2 — CID 4838804

IUPAC3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1=Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C19H11BrClNO2/c20-12-3-1-11(2-4-12)18-8-6-14(24-18)10-16-15-9-13(21)5-7-17(15)22-19(16)23/h1-10H,(H,22,23)
InChIKeyLJNYIWPXVKJBBS-UHFFFAOYSA-N
MW400.66 g/mol
LogP5.86
Rot. Bonds2

About 3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one

3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one (PubChem CID 4838804) has the molecular formula C19H11BrClNO2 and a molecular weight of 400.66 g/mol. Its IUPAC name is 3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one.

Molecular Properties

Compound Name3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one
PubChem CID4838804
Molecular FormulaC19H11BrClNO2
Molecular Weight400.66 g/mol
Exact Mass398.97
IUPAC Name3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1=Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C19H11BrClNO2/c20-12-3-1-11(2-4-12)18-8-6-14(24-18)10-16-15-9-13(21)5-7-17(15)22-19(16)23/h1-10H,(H,22,23)
InChIKeyLJNYIWPXVKJBBS-UHFFFAOYSA-N
XLogP5.86
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.66
LogP ≤ 55.86
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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Related Compounds

CID 91395349
CID 91395349
(3Z)-3-[(5-bromofuran-2-yl)methylidene]-5-chloro-1H-indol-2-one;(3Z)-5-chloro-3-[[5-[6-(dimethylamino)-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 159848133
3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-hydroxy-N-methylbenzamide
CID 143921870
(3Z)-5-chloro-3-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 59190140
(2Z)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1-benzofuran-3-one
CID 18823709
6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one
CID 70190219
(3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one
CID 7947107
4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1-(3-chlorophenyl)pyrazolidine-3,5-dione
CID 1371910
5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 4098591
(3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 66553955
(3E)-5-chloro-3-[[5-[3-(4-hydroxy-4-phenylbutanoyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 160890783
5-chloro-3-[[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one;hydrochloride
CID 131706461

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one?
The IUPAC name of 3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one (CID 4838804) is 3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one.
What is the SMILES notation for 3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one?
The canonical SMILES for 3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2C1=Cc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one?
The InChIKey is LJNYIWPXVKJBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrClNO2/c20-12-3-1-11(2-4-12)18-8-6-14(24-18)10-16-15-9-13(21)5-7-17(15)22-19(16)23/h1-10H,(H,22,23).
What are the key properties of 3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one?
3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one has a molecular weight of 400.66 g/mol, XLogP of 5.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one is sourced from PubChem (CID 4838804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).