5-chloro-3-(3,4-dichlorophenyl)imino-1-(3-hydroxyphenyl)indol-2-one

C20H11Cl3N2O2 — CID 10093440

IUPAC5-chloro-3-(3,4-dichlorophenyl)imino-1-(3-hydroxyphenyl)indol-2-one
SMILESO=C1/C(=N\c2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc2N1c1cccc(O)c1
InChIInChI=1S/C20H11Cl3N2O2/c21-11-4-7-18-15(8-11)19(24-12-5-6-16(22)17(23)9-12)20(27)25(18)13-2-1-3-14(26)10-13/h1-10,26H/b24-19-
InChIKeyOMQQUOQGQGSNGP-CLCOLTQESA-N
MW417.68 g/mol
LogP6.15
Rot. Bonds2

About 5-chloro-3-(3,4-dichlorophenyl)imino-1-(3-hydroxyphenyl)indol-2-one

5-chloro-3-(3,4-dichlorophenyl)imino-1-(3-hydroxyphenyl)indol-2-one (PubChem CID 10093440) has the molecular formula C20H11Cl3N2O2 and a molecular weight of 417.68 g/mol. Its IUPAC name is 5-chloro-3-(3,4-dichlorophenyl)imino-1-(3-hydroxyphenyl)indol-2-one.

Molecular Properties

Compound Name5-chloro-3-(3,4-dichlorophenyl)imino-1-(3-hydroxyphenyl)indol-2-one
PubChem CID10093440
Molecular FormulaC20H11Cl3N2O2
Molecular Weight417.68 g/mol
Exact Mass415.99
IUPAC Name5-chloro-3-(3,4-dichlorophenyl)imino-1-(3-hydroxyphenyl)indol-2-one
SMILESO=C1/C(=N\c2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc2N1c1cccc(O)c1
InChIInChI=1S/C20H11Cl3N2O2/c21-11-4-7-18-15(8-11)19(24-12-5-6-16(22)17(23)9-12)20(27)25(18)13-2-1-3-14(26)10-13/h1-10,26H/b24-19-
InChIKeyOMQQUOQGQGSNGP-CLCOLTQESA-N
XLogP6.15
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.68
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3,4-dichlorophenyl)imino-1-(3-hydroxyphenyl)indol-2-one?
The IUPAC name of 5-chloro-3-(3,4-dichlorophenyl)imino-1-(3-hydroxyphenyl)indol-2-one (CID 10093440) is 5-chloro-3-(3,4-dichlorophenyl)imino-1-(3-hydroxyphenyl)indol-2-one.
What is the SMILES notation for 5-chloro-3-(3,4-dichlorophenyl)imino-1-(3-hydroxyphenyl)indol-2-one?
The canonical SMILES for 5-chloro-3-(3,4-dichlorophenyl)imino-1-(3-hydroxyphenyl)indol-2-one is O=C1/C(=N\c2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc2N1c1cccc(O)c1.
What is the InChIKey of 5-chloro-3-(3,4-dichlorophenyl)imino-1-(3-hydroxyphenyl)indol-2-one?
The InChIKey is OMQQUOQGQGSNGP-CLCOLTQESA-N. The full InChI is InChI=1S/C20H11Cl3N2O2/c21-11-4-7-18-15(8-11)19(24-12-5-6-16(22)17(23)9-12)20(27)25(18)13-2-1-3-14(26)10-13/h1-10,26H/b24-19-.
What are the key properties of 5-chloro-3-(3,4-dichlorophenyl)imino-1-(3-hydroxyphenyl)indol-2-one?
5-chloro-3-(3,4-dichlorophenyl)imino-1-(3-hydroxyphenyl)indol-2-one has a molecular weight of 417.68 g/mol, XLogP of 6.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3,4-dichlorophenyl)imino-1-(3-hydroxyphenyl)indol-2-one is sourced from PubChem (CID 10093440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).