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

C19H11BrClNO2 — CID 71511449

IUPAC(3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(-c2cccc(Br)c2)o1
InChIInChI=1S/C19H11BrClNO2/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-
InChIKeyIKMBUMKXTJBJBF-YBEGLDIGSA-N
MW400.66 g/mol
LogP5.86
Rot. Bonds2

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

(3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one (PubChem CID 71511449) has the molecular formula C19H11BrClNO2 and a molecular weight of 400.66 g/mol. Its IUPAC name is (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one
PubChem CID71511449
Molecular FormulaC19H11BrClNO2
Molecular Weight400.66 g/mol
Exact Mass398.97
IUPAC Name(3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(-c2cccc(Br)c2)o1
InChIInChI=1S/C19H11BrClNO2/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-
InChIKeyIKMBUMKXTJBJBF-YBEGLDIGSA-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

(1S,2S)-2-(5-bromo-2-furyl)-5'-chloro-spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956362
(3E)-3-[(2-bromo-4-methoxyphenyl)methylidene]-5-chloro-1H-indol-2-one
CID 90643717
(3E)-5-bromo-3-(furan-2-ylmethylidene)-1H-indol-2-one
CID 6164317
(3E)-5-Chloro-3-(furan-2-ylmethylidene)-1H-indol-2-one
CID 6164860
(3Z)-5-Chloro-3-[2-(3-methoxyphenyl)-2-oxoethylidene]-2,3-dihydro-1H-indol-2-one
CID 39890092
(3Z)-6-chloro-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1H-indol-2-one
CID 132967822
5-Bromo-3-(2-furanylmethylene)-1,3-dihydro-2h-indol-2-one
CID 4613223
(3Z)-3-[(5-bromofuran-2-yl)methylidene]-1H-indol-2-one
CID 12374700
(3Z)-5-bromo-3-[(5-methylfuran-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one
CID 703655
5-Bromo-3-[(Z)-1-(2-furyl)methylidene]-1H-indol-2-one
CID 46504701
(3Z)-3-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 5703524
(3Z)-5-bromo-3-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-1,3-dihydro-2H-indol-2-one
CID 7826102

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one (CID 71511449) is (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(-c2cccc(Br)c2)o1.
What is the InChIKey of (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one?
The InChIKey is IKMBUMKXTJBJBF-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H11BrClNO2/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)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one?
(3Z)-3-[[5-(3-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 (3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one is sourced from PubChem (CID 71511449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).