5-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one

C20H11Cl3N2O2 — CID 135559269

IUPAC5-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=N/c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H11Cl3N2O2/c21-11-1-7-17-15(9-11)19(20(26)25-17)24-13-3-5-14(6-4-13)27-18-8-2-12(22)10-16(18)23/h1-10H,(H,24,25,26)
InChIKeyVSSAFBAYBZYKEE-UHFFFAOYSA-N
MW417.68 g/mol
LogP6.51
Rot. Bonds3

About 5-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one

5-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one (PubChem CID 135559269) has the molecular formula C20H11Cl3N2O2 and a molecular weight of 417.68 g/mol. Its IUPAC name is 5-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one
PubChem CID135559269
Molecular FormulaC20H11Cl3N2O2
Molecular Weight417.68 g/mol
Exact Mass415.99
IUPAC Name5-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=N/c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H11Cl3N2O2/c21-11-1-7-17-15(9-11)19(20(26)25-17)24-13-3-5-14(6-4-13)27-18-8-2-12(22)10-16(18)23/h1-10H,(H,24,25,26)
InChIKeyVSSAFBAYBZYKEE-UHFFFAOYSA-N
XLogP6.51
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.68
LogP ≤ 56.51
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-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one?
The IUPAC name of 5-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one (CID 135559269) is 5-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=N/c1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 5-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one?
The InChIKey is VSSAFBAYBZYKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl3N2O2/c21-11-1-7-17-15(9-11)19(20(26)25-17)24-13-3-5-14(6-4-13)27-18-8-2-12(22)10-16(18)23/h1-10H,(H,24,25,26).
What are the key properties of 5-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one?
5-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one has a molecular weight of 417.68 g/mol, XLogP of 6.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one is sourced from PubChem (CID 135559269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).