N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2-hydroxybenzamide

C22H15N3O5 — CID 1378807

IUPACN-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2-hydroxybenzamide
SMILESO=C(/N=N/C(=O)c1ccccc1O)c1ccc(-n2c(O)c3ccccc3c2O)cc1
InChIInChI=1S/C22H15N3O5/c26-18-8-4-3-7-17(18)20(28)24-23-19(27)13-9-11-14(12-10-13)25-21(29)15-5-1-2-6-16(15)22(25)30/h1-12,26,29-30H/b24-23+
InChIKeyDXGSQMPVKUDIQU-WCWDXBQESA-N
MW401.38 g/mol
LogP4.18
Rot. Bonds3

About N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2-hydroxybenzamide

N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2-hydroxybenzamide (PubChem CID 1378807) has the molecular formula C22H15N3O5 and a molecular weight of 401.38 g/mol. Its IUPAC name is N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2-hydroxybenzamide
PubChem CID1378807
Molecular FormulaC22H15N3O5
Molecular Weight401.38 g/mol
Exact Mass401.10
IUPAC NameN-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2-hydroxybenzamide
SMILESO=C(/N=N/C(=O)c1ccccc1O)c1ccc(-n2c(O)c3ccccc3c2O)cc1
InChIInChI=1S/C22H15N3O5/c26-18-8-4-3-7-17(18)20(28)24-23-19(27)13-9-11-14(12-10-13)25-21(29)15-5-1-2-6-16(15)22(25)30/h1-12,26,29-30H/b24-23+
InChIKeyDXGSQMPVKUDIQU-WCWDXBQESA-N
XLogP4.18
TPSA124.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2-hydroxybenzamide?
The IUPAC name of N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2-hydroxybenzamide (CID 1378807) is N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2-hydroxybenzamide.
What is the SMILES notation for N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2-hydroxybenzamide?
The canonical SMILES for N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2-hydroxybenzamide is O=C(/N=N/C(=O)c1ccccc1O)c1ccc(-n2c(O)c3ccccc3c2O)cc1.
What is the InChIKey of N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2-hydroxybenzamide?
The InChIKey is DXGSQMPVKUDIQU-WCWDXBQESA-N. The full InChI is InChI=1S/C22H15N3O5/c26-18-8-4-3-7-17(18)20(28)24-23-19(27)13-9-11-14(12-10-13)25-21(29)15-5-1-2-6-16(15)22(25)30/h1-12,26,29-30H/b24-23+.
What are the key properties of N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2-hydroxybenzamide?
N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2-hydroxybenzamide has a molecular weight of 401.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2-hydroxybenzamide is sourced from PubChem (CID 1378807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).