6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one

C21H13Cl3N2O2 — CID 135559640

IUPAC6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one
SMILESCc1c(Cl)ccc2c1NC(=O)/C2=N\c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H13Cl3N2O2/c1-11-16(23)8-7-15-19(11)26-21(27)20(15)25-13-3-5-14(6-4-13)28-18-9-2-12(22)10-17(18)24/h2-10H,1H3,(H,25,26,27)
InChIKeyVJZXVLLHXUHDNA-UHFFFAOYSA-N
MW431.71 g/mol
LogP6.82
Rot. Bonds3

About 6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one

6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one (PubChem CID 135559640) has the molecular formula C21H13Cl3N2O2 and a molecular weight of 431.71 g/mol. Its IUPAC name is 6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one
PubChem CID135559640
Molecular FormulaC21H13Cl3N2O2
Molecular Weight431.71 g/mol
Exact Mass430.00
IUPAC Name6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one
SMILESCc1c(Cl)ccc2c1NC(=O)/C2=N\c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H13Cl3N2O2/c1-11-16(23)8-7-15-19(11)26-21(27)20(15)25-13-3-5-14(6-4-13)28-18-9-2-12(22)10-17(18)24/h2-10H,1H3,(H,25,26,27)
InChIKeyVJZXVLLHXUHDNA-UHFFFAOYSA-N
XLogP6.82
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.71
LogP ≤ 56.82
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 6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one?
The IUPAC name of 6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one (CID 135559640) is 6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one.
What is the SMILES notation for 6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one?
The canonical SMILES for 6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one is Cc1c(Cl)ccc2c1NC(=O)/C2=N\c1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one?
The InChIKey is VJZXVLLHXUHDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl3N2O2/c1-11-16(23)8-7-15-19(11)26-21(27)20(15)25-13-3-5-14(6-4-13)28-18-9-2-12(22)10-17(18)24/h2-10H,1H3,(H,25,26,27).
What are the key properties of 6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one?
6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one has a molecular weight of 431.71 g/mol, XLogP of 6.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one is sourced from PubChem (CID 135559640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).