6-[(2-chloro-4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one

C24H15ClFNO3 — CID 3787607

IUPAC6-[(2-chloro-4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one
SMILESO=C1C(=Cc2c[nH]c3ccccc23)Oc2cc(OCc3ccc(F)cc3Cl)ccc21
InChIInChI=1S/C24H15ClFNO3/c25-20-10-16(26)6-5-14(20)13-29-17-7-8-19-22(11-17)30-23(24(19)28)9-15-12-27-21-4-2-1-3-18(15)21/h1-12,27H,13H2
InChIKeyDGOBCKCLMGHYRI-UHFFFAOYSA-N
MW419.84 g/mol
LogP6.16
Rot. Bonds4

About 6-[(2-chloro-4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one

6-[(2-chloro-4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one (PubChem CID 3787607) has the molecular formula C24H15ClFNO3 and a molecular weight of 419.84 g/mol. Its IUPAC name is 6-[(2-chloro-4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one.

Molecular Properties

Compound Name6-[(2-chloro-4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one
PubChem CID3787607
Molecular FormulaC24H15ClFNO3
Molecular Weight419.84 g/mol
Exact Mass419.07
IUPAC Name6-[(2-chloro-4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one
SMILESO=C1C(=Cc2c[nH]c3ccccc23)Oc2cc(OCc3ccc(F)cc3Cl)ccc21
InChIInChI=1S/C24H15ClFNO3/c25-20-10-16(26)6-5-14(20)13-29-17-7-8-19-22(11-17)30-23(24(19)28)9-15-12-27-21-4-2-1-3-18(15)21/h1-12,27H,13H2
InChIKeyDGOBCKCLMGHYRI-UHFFFAOYSA-N
XLogP6.16
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.84
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one
CID 3713832
6-[(2-chloro-4-fluorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methylidene]-1-benzofuran-3-one
CID 4861245
6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one
CID 3696610
2-(1H-indol-3-ylmethylidene)-6-(2-methylprop-2-enoxy)-1-benzofuran-3-one
CID 3778988
6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 5265863
(2Z)-2-[(2,3-dichlorophenyl)methylidene]-6-[(2-fluorophenyl)methoxy]-1-benzofuran-3-one
CID 6220422
2-[(2-chloro-6-fluorophenyl)methylidene]-6-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 5265857
2-[(3-chlorophenyl)methylidene]-6-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 4861152
2-[(4-chlorophenyl)methylidene]-6-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 5265807
(2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 19261098
[2-(1H-indol-3-ylmethylidene)-3-oxo-1-benzofuran-6-yl] 4-methylbenzoate
CID 3712007
6-[(2,4-dichlorophenyl)methoxy]-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 3881463

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one?
The IUPAC name of 6-[(2-chloro-4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one (CID 3787607) is 6-[(2-chloro-4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one.
What is the SMILES notation for 6-[(2-chloro-4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one?
The canonical SMILES for 6-[(2-chloro-4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one is O=C1C(=Cc2c[nH]c3ccccc23)Oc2cc(OCc3ccc(F)cc3Cl)ccc21.
What is the InChIKey of 6-[(2-chloro-4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one?
The InChIKey is DGOBCKCLMGHYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFNO3/c25-20-10-16(26)6-5-14(20)13-29-17-7-8-19-22(11-17)30-23(24(19)28)9-15-12-27-21-4-2-1-3-18(15)21/h1-12,27H,13H2.
What are the key properties of 6-[(2-chloro-4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one?
6-[(2-chloro-4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one has a molecular weight of 419.84 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one is sourced from PubChem (CID 3787607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).