(3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one

C16H10FNO2 — CID 682363

IUPAC(3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H10FNO2/c17-11-7-5-10(6-8-11)15(19)9-13-12-3-1-2-4-14(12)18-16(13)20/h1-9H,(H,18,20)/b13-9-
InChIKeyDLUFVMJZPFKJCP-LCYFTJDESA-N
MW267.26 g/mol
LogP3.04
Rot. Bonds2

About (3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one

(3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one (PubChem CID 682363) has the molecular formula C16H10FNO2 and a molecular weight of 267.26 g/mol. Its IUPAC name is (3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one
PubChem CID682363
Molecular FormulaC16H10FNO2
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC Name(3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H10FNO2/c17-11-7-5-10(6-8-11)15(19)9-13-12-3-1-2-4-14(12)18-16(13)20/h1-9H,(H,18,20)/b13-9-
InChIKeyDLUFVMJZPFKJCP-LCYFTJDESA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.04
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

Isatin
CID 7054
Ebselen
CID 3194
Oxindole
CID 321710
N-Phenylphthalimide
CID 68215
1-Phenylisatin
CID 12884
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
5-Methylisatin
CID 11840
1-Benzylisatin
CID 264734
5-Phenylisatin
CID 14810157
5-Iodoisatin
CID 88695
Benzanilide
CID 7168
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one (CID 682363) is (3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(F)cc1.
What is the InChIKey of (3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one?
The InChIKey is DLUFVMJZPFKJCP-LCYFTJDESA-N. The full InChI is InChI=1S/C16H10FNO2/c17-11-7-5-10(6-8-11)15(19)9-13-12-3-1-2-4-14(12)18-16(13)20/h1-9H,(H,18,20)/b13-9-.
What are the key properties of (3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one?
(3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one has a molecular weight of 267.26 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one is sourced from PubChem (CID 682363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).