3-[(3-chlorophenyl)-(1H-indol-3-yl)methylidene]-1H-indol-2-one

C23H15ClN2O — CID 91467411

IUPAC3-[(3-chlorophenyl)-(1H-indol-3-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=C(c1cccc(Cl)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H15ClN2O/c24-15-7-5-6-14(12-15)21(18-13-25-19-10-3-1-8-16(18)19)22-17-9-2-4-11-20(17)26-23(22)27/h1-13,25H,(H,26,27)
InChIKeyBGPOGPWKUKAWKY-UHFFFAOYSA-N
MW370.84 g/mol
LogP5.73
Rot. Bonds2

About 3-[(3-chlorophenyl)-(1H-indol-3-yl)methylidene]-1H-indol-2-one

3-[(3-chlorophenyl)-(1H-indol-3-yl)methylidene]-1H-indol-2-one (PubChem CID 91467411) has the molecular formula C23H15ClN2O and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-(1H-indol-3-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-(1H-indol-3-yl)methylidene]-1H-indol-2-one
PubChem CID91467411
Molecular FormulaC23H15ClN2O
Molecular Weight370.84 g/mol
Exact Mass370.09
IUPAC Name3-[(3-chlorophenyl)-(1H-indol-3-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=C(c1cccc(Cl)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H15ClN2O/c24-15-7-5-6-14(12-15)21(18-13-25-19-10-3-1-8-16(18)19)22-17-9-2-4-11-20(17)26-23(22)27/h1-13,25H,(H,26,27)
InChIKeyBGPOGPWKUKAWKY-UHFFFAOYSA-N
XLogP5.73
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.84
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-(1H-indol-3-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 3-[(3-chlorophenyl)-(1H-indol-3-yl)methylidene]-1H-indol-2-one (CID 91467411) is 3-[(3-chlorophenyl)-(1H-indol-3-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[(3-chlorophenyl)-(1H-indol-3-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[(3-chlorophenyl)-(1H-indol-3-yl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2C1=C(c1cccc(Cl)c1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[(3-chlorophenyl)-(1H-indol-3-yl)methylidene]-1H-indol-2-one?
The InChIKey is BGPOGPWKUKAWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O/c24-15-7-5-6-14(12-15)21(18-13-25-19-10-3-1-8-16(18)19)22-17-9-2-4-11-20(17)26-23(22)27/h1-13,25H,(H,26,27).
What are the key properties of 3-[(3-chlorophenyl)-(1H-indol-3-yl)methylidene]-1H-indol-2-one?
3-[(3-chlorophenyl)-(1H-indol-3-yl)methylidene]-1H-indol-2-one has a molecular weight of 370.84 g/mol, XLogP of 5.73, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)-(1H-indol-3-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 91467411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).