(3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one

C16H11Cl2N3O2 — CID 135577138

IUPAC(3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
SMILESCN1C(=O)/C(=N/N=C/c2cc(Cl)cc(Cl)c2O)c2ccccc21
InChIInChI=1S/C16H11Cl2N3O2/c1-21-13-5-3-2-4-11(13)14(16(21)23)20-19-8-9-6-10(17)7-12(18)15(9)22/h2-8,22H,1H3/b19-8+,20-14+
InChIKeyQRYDUDSIDGDPOM-HTPNMXJWSA-N
MW348.19 g/mol
LogP3.50
Rot. Bonds2

About (3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one

(3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one (PubChem CID 135577138) has the molecular formula C16H11Cl2N3O2 and a molecular weight of 348.19 g/mol. Its IUPAC name is (3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one.

Molecular Properties

Compound Name(3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
PubChem CID135577138
Molecular FormulaC16H11Cl2N3O2
Molecular Weight348.19 g/mol
Exact Mass347.02
IUPAC Name(3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
SMILESCN1C(=O)/C(=N/N=C/c2cc(Cl)cc(Cl)c2O)c2ccccc21
InChIInChI=1S/C16H11Cl2N3O2/c1-21-13-5-3-2-4-11(13)14(16(21)23)20-19-8-9-6-10(17)7-12(18)15(9)22/h2-8,22H,1H3/b19-8+,20-14+
InChIKeyQRYDUDSIDGDPOM-HTPNMXJWSA-N
XLogP3.50
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(Z)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9213834
2,4-dichloro-6-[(Z)-[(Z)-[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]hydrazinylidene]methyl]phenol
CID 136662887
2,4-dichloro-6-[(E)-[(E)-(3-methyl-2,3-dihydroinden-1-ylidene)hydrazinylidene]methyl]phenol
CID 135448473
(3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one
CID 9214035
(3Z)-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214073
(3Z)-3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 135577165
(3E)-3-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-1-methylindol-2-one
CID 17368285
(3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214007
3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one
CID 2533545
3-methoxyimino-1-methylindol-2-one
CID 2729193
2,4-dichloro-6-(methyliminomethyl)phenol;2-(4-propanoylphenyl)isoindole-1,3-dione
CID 158353844
(3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one
CID 8978857

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one?
The IUPAC name of (3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one (CID 135577138) is (3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one.
What is the SMILES notation for (3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one?
The canonical SMILES for (3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one is CN1C(=O)/C(=N/N=C/c2cc(Cl)cc(Cl)c2O)c2ccccc21.
What is the InChIKey of (3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one?
The InChIKey is QRYDUDSIDGDPOM-HTPNMXJWSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2/c1-21-13-5-3-2-4-11(13)14(16(21)23)20-19-8-9-6-10(17)7-12(18)15(9)22/h2-8,22H,1H3/b19-8+,20-14+.
What are the key properties of (3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one?
(3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one has a molecular weight of 348.19 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one is sourced from PubChem (CID 135577138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).