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

C22H19N3O2 — CID 135470793

IUPAC4-(1,3-dihydroisoindol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C22H19N3O2/c26-21-8-4-3-5-17(21)13-23-24-22(27)16-9-11-20(12-10-16)25-14-18-6-1-2-7-19(18)15-25/h1-13,26H,14-15H2,(H,24,27)/b23-13+
InChIKeyPTIQSFUMPOCVLC-YDZHTSKRSA-N
MW357.41 g/mol
LogP3.68
Rot. Bonds4

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

4-(1,3-dihydroisoindol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135470793) 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-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135470793
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C22H19N3O2/c26-21-8-4-3-5-17(21)13-23-24-22(27)16-9-11-20(12-10-16)25-14-18-6-1-2-7-19(18)15-25/h1-13,26H,14-15H2,(H,24,27)/b23-13+
InChIKeyPTIQSFUMPOCVLC-YDZHTSKRSA-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_A(479)', '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

Gsk-9089
CID 5497124
n'-(4-(Diethylamino)-2-hydroxybenzylidene)-2-hydroxybenzohydrazide
CID 135472454
N-[[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 644030
N-(4-{[2-(3-hydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 6875721
2-Hydroxy-4-diethylaminobenzaldehyde 4-tert-butyl-benzoyl hydrazone
CID 135470886
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-4-hydroxybenzohydrazide
CID 6864965
4-Amino-benzoic acid [5-(3,4-dimethyl-phenylazo)-2-hydroxy-benzylidene]-hydrazide
CID 135464585
N'-[1-(2,4-dihydroxyphenyl)ethylidene]-4-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 135478329
2-{[4-(diethylamino)-2-hydroxybenzylidene]amino}-1H-isoindole-1,3(2H)-dione
CID 135505352
4-(diethylamino)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135521630
N'-[4-(diethylamino)-2-hydroxybenzylidene]benzohydrazide
CID 135472455
N'-(4-(Diethylamino)benzylidene)-2-hydroxybenzohydrazide
CID 6898897

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide (CID 135470793) is 4-(1,3-dihydroisoindol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccccc1O)c1ccc(N2Cc3ccccc3C2)cc1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is PTIQSFUMPOCVLC-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-21-8-4-3-5-17(21)13-23-24-22(27)16-9-11-20(12-10-16)25-14-18-6-1-2-7-19(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-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
4-(1,3-dihydroisoindol-2-yl)-N-[(E)-(2-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-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135470793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).