(3Z)-3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1H-indol-2-one

C19H12ClN3O2 — CID 135515662

IUPAC(3Z)-3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/N=C/c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H12ClN3O2/c20-13-7-5-12(6-8-13)17-10-9-14(25-17)11-21-23-18-15-3-1-2-4-16(15)22-19(18)24/h1-11H,(H,22,23,24)/b21-11+
InChIKeyGPZGLCWJLIXSNK-SRZZPIQSSA-N
MW349.78 g/mol
LogP4.38
Rot. Bonds3

About (3Z)-3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1H-indol-2-one

(3Z)-3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 135515662) has the molecular formula C19H12ClN3O2 and a molecular weight of 349.78 g/mol. Its IUPAC name is (3Z)-3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID135515662
Molecular FormulaC19H12ClN3O2
Molecular Weight349.78 g/mol
Exact Mass349.06
IUPAC Name(3Z)-3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/N=C/c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H12ClN3O2/c20-13-7-5-12(6-8-13)17-10-9-14(25-17)11-21-23-18-15-3-1-2-4-16(15)22-19(18)24/h1-11H,(H,22,23,24)/b21-11+
InChIKeyGPZGLCWJLIXSNK-SRZZPIQSSA-N
XLogP4.38
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

3-[(2-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135537355
(3Z)-3-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135425137
3-[(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135445848
(3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135411606
(3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135603924
2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135427595
2-[(2Z,5R)-2-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135591637
(3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135763283
N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide
CID 135500421
(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135823201
3-[(9-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one
CID 175422623
3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one
CID 4838804

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1H-indol-2-one (CID 135515662) is (3Z)-3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/N=C/c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of (3Z)-3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is GPZGLCWJLIXSNK-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H12ClN3O2/c20-13-7-5-12(6-8-13)17-10-9-14(25-17)11-21-23-18-15-3-1-2-4-16(15)22-19(18)24/h1-11H,(H,22,23,24)/b21-11+.
What are the key properties of (3Z)-3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1H-indol-2-one?
(3Z)-3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 349.78 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135515662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).