6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one

C21H14Cl2N2O — CID 90849989

IUPAC6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1/C(=N/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H14Cl2N2O/c22-14-6-9-16(10-7-14)24-20(13-4-2-1-3-5-13)19-17-11-8-15(23)12-18(17)25-21(19)26/h1-12,19H,(H,25,26)/b24-20+
InChIKeyVJAYCURXCOGLDD-HIXSDJFHSA-N
MW381.26 g/mol
LogP5.85
Rot. Bonds3

About 6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one

6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one (PubChem CID 90849989) has the molecular formula C21H14Cl2N2O and a molecular weight of 381.26 g/mol. Its IUPAC name is 6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
PubChem CID90849989
Molecular FormulaC21H14Cl2N2O
Molecular Weight381.26 g/mol
Exact Mass380.05
IUPAC Name6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1/C(=N/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H14Cl2N2O/c22-14-6-9-16(10-7-14)24-20(13-4-2-1-3-5-13)19-17-11-8-15(23)12-18(17)25-21(19)26/h1-12,19H,(H,25,26)/b24-20+
InChIKeyVJAYCURXCOGLDD-HIXSDJFHSA-N
XLogP5.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.26
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one (CID 90849989) is 6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one is O=C1Nc2cc(Cl)ccc2C1/C(=N/c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one?
The InChIKey is VJAYCURXCOGLDD-HIXSDJFHSA-N. The full InChI is InChI=1S/C21H14Cl2N2O/c22-14-6-9-16(10-7-14)24-20(13-4-2-1-3-5-13)19-17-11-8-15(23)12-18(17)25-21(19)26/h1-12,19H,(H,25,26)/b24-20+.
What are the key properties of 6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one?
6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one has a molecular weight of 381.26 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 90849989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).