(3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one

C19H10Br2FNO — CID 59301613

IUPAC(3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C/c1c(Br)c2cccccc-2c1Br
InChIInChI=1S/C19H10Br2FNO/c20-17-11-4-2-1-3-5-12(11)18(21)15(17)9-14-13-8-10(22)6-7-16(13)23-19(14)24/h1-9H,(H,23,24)/b14-9-
InChIKeyZHADVIURVJMWEN-ZROIWOOFSA-N
MW447.10 g/mol
LogP5.95
Rot. Bonds1

About (3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one

(3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one (PubChem CID 59301613) has the molecular formula C19H10Br2FNO and a molecular weight of 447.10 g/mol. Its IUPAC name is (3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one
PubChem CID59301613
Molecular FormulaC19H10Br2FNO
Molecular Weight447.10 g/mol
Exact Mass444.91
IUPAC Name(3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C/c1c(Br)c2cccccc-2c1Br
InChIInChI=1S/C19H10Br2FNO/c20-17-11-4-2-1-3-5-12(11)18(21)15(17)9-14-13-8-10(22)6-7-16(13)23-19(14)24/h1-9H,(H,23,24)/b14-9-
InChIKeyZHADVIURVJMWEN-ZROIWOOFSA-N
XLogP5.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.10
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-[(1,3-dimethylazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one
CID 68581049
3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
(3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one
CID 87504644
(3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one
CID 59301657
CID 73212798
CID 73212798
5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 171130402
(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 71511474
3-(dimethylaminomethylidene)-5-fluoro-1H-indol-2-one
CID 70497193
5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246090
(3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 59079660
5-fluoro-3-[[3-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246047
3-[(2,6-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57053949

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one (CID 59301613) is (3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=C/c1c(Br)c2cccccc-2c1Br.
What is the InChIKey of (3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one?
The InChIKey is ZHADVIURVJMWEN-ZROIWOOFSA-N. The full InChI is InChI=1S/C19H10Br2FNO/c20-17-11-4-2-1-3-5-12(11)18(21)15(17)9-14-13-8-10(22)6-7-16(13)23-19(14)24/h1-9H,(H,23,24)/b14-9-.
What are the key properties of (3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one?
(3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one has a molecular weight of 447.10 g/mol, XLogP of 5.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 59301613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).