4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide

C22H19N3O2 — CID 135781840

IUPAC4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(O)cc1)c1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C22H19N3O2/c26-21-11-5-16(6-12-21)13-23-24-22(27)17-7-9-20(10-8-17)25-14-18-3-1-2-4-19(18)15-25/h1-13,26H,14-15H2,(H,24,27)/b23-13-
InChIKeyDIGNXLXITAEMAX-QRVIBDJDSA-N
MW357.41 g/mol
LogP3.68
Rot. Bonds4

About 4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide

4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135781840) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135781840
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(O)cc1)c1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C22H19N3O2/c26-21-11-5-16(6-12-21)13-23-24-22(27)17-7-9-20(10-8-17)25-14-18-3-1-2-4-19(18)15-25/h1-13,26H,14-15H2,(H,24,27)/b23-13-
InChIKeyDIGNXLXITAEMAX-QRVIBDJDSA-N
XLogP3.68
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide
CID 1350157
N-[[4-(1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-nitrobenzamide
CID 5219958
4-(1,3-dihydroisoindol-2-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135446581
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
N-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide
CID 1240254
4-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyphenyl)methylideneamino]benzamide
CID 4054579
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
4-[(E)-[[2-(4-bromophenyl)-1,3-dihydroisoindole-5-carbonyl]hydrazinylidene]methyl]benzoic acid
CID 124525519
4-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136742442
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide (CID 135781840) is 4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(O)cc1)c1ccc(N2Cc3ccccc3C2)cc1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is DIGNXLXITAEMAX-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-21-11-5-16(6-12-21)13-23-24-22(27)17-7-9-20(10-8-17)25-14-18-3-1-2-4-19(18)15-25/h1-13,26H,14-15H2,(H,24,27)/b23-13-.
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide?
4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 357.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135781840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).