2-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione

C22H16N2O3 — CID 5455823

IUPAC2-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C22H16N2O3/c25-21-19-11-4-5-12-20(19)22(26)24(21)23-14-17-9-6-10-18(13-17)27-15-16-7-2-1-3-8-16/h1-14H,15H2/b23-14-
InChIKeyLTWJOMLXCDXDIG-UCQKPKSFSA-N
MW356.38 g/mol
LogP3.90
Rot. Bonds5

About 2-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione

2-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 5455823) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione
PubChem CID5455823
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name2-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C22H16N2O3/c25-21-19-11-4-5-12-20(19)22(26)24(21)23-14-17-9-6-10-18(13-17)27-15-16-7-2-1-3-8-16/h1-14H,15H2/b23-14-
InChIKeyLTWJOMLXCDXDIG-UCQKPKSFSA-N
XLogP3.90
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[(3-phenylmethoxyphenyl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 3707360
(3-phenylmethoxyphenyl)methylidenehydrazine
CID 23916805
17-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 21370601
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110337182
7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one
CID 134873971
2-[(Z)-[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 5440307
2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 1098364
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 2197856
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 5332496

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione (CID 5455823) is 2-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1/N=C\c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is LTWJOMLXCDXDIG-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-21-19-11-4-5-12-20(19)22(26)24(21)23-14-17-9-6-10-18(13-17)27-15-16-7-2-1-3-8-16/h1-14H,15H2/b23-14-.
What are the key properties of 2-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione?
2-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 356.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 5455823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).