N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide

C15H12N2O4 — CID 5357673

IUPACN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C\c1ccc2c(c1)OCO2)c1ccccc1O
InChIInChI=1S/C15H12N2O4/c18-12-4-2-1-3-11(12)15(19)17-16-8-10-5-6-13-14(7-10)21-9-20-13/h1-8,18H,9H2,(H,17,19)/b16-8-
InChIKeyXSOVDKJJBAEXAA-PXNMLYILSA-N
MW284.27 g/mol
LogP1.88
Rot. Bonds3

About N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide

N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide (PubChem CID 5357673) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide
PubChem CID5357673
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C\c1ccc2c(c1)OCO2)c1ccccc1O
InChIInChI=1S/C15H12N2O4/c18-12-4-2-1-3-11(12)15(19)17-16-8-10-5-6-13-14(7-10)21-9-20-13/h1-8,18H,9H2,(H,17,19)/b16-8-
InChIKeyXSOVDKJJBAEXAA-PXNMLYILSA-N
XLogP1.88
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethylideneamino)-2-bromobenzamide
CID 3358206
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-bromo-2-hydroxybenzamide
CID 6062036
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
CID 6894182
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-nitrobenzamide
CID 693965
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-propan-2-yloxybenzamide
CID 6245447
N-(1,3-benzodioxol-5-ylmethylideneamino)-1-benzothiophene-3-carboxamide
CID 842303
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135642296
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 2592818
N-[2-[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-chlorobenzamide
CID 4266940
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide
CID 5404525
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
CID 6909474
N-(benzylideneamino)-1,3-benzodioxole-5-carboxamide
CID 834948

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide (CID 5357673) is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide is O=C(N/N=C\c1ccc2c(c1)OCO2)c1ccccc1O.
What is the InChIKey of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide?
The InChIKey is XSOVDKJJBAEXAA-PXNMLYILSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-12-4-2-1-3-11(12)15(19)17-16-8-10-5-6-13-14(7-10)21-9-20-13/h1-8,18H,9H2,(H,17,19)/b16-8-.
What are the key properties of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide?
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide has a molecular weight of 284.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 5357673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).