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

C15H11BrN2O4 — CID 6062036

IUPACN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-bromo-2-hydroxybenzamide
SMILESO=C(N/N=C\c1ccc2c(c1)OCO2)c1cc(Br)ccc1O
InChIInChI=1S/C15H11BrN2O4/c16-10-2-3-12(19)11(6-10)15(20)18-17-7-9-1-4-13-14(5-9)22-8-21-13/h1-7,19H,8H2,(H,18,20)/b17-7-
InChIKeyWAKLBJCNKLZDJN-IDUWFGFVSA-N
MW363.17 g/mol
LogP2.65
Rot. Bonds3

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

N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-bromo-2-hydroxybenzamide (PubChem CID 6062036) has the molecular formula C15H11BrN2O4 and a molecular weight of 363.17 g/mol. Its IUPAC name is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-bromo-2-hydroxybenzamide
PubChem CID6062036
Molecular FormulaC15H11BrN2O4
Molecular Weight363.17 g/mol
Exact Mass361.99
IUPAC NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-bromo-2-hydroxybenzamide
SMILESO=C(N/N=C\c1ccc2c(c1)OCO2)c1cc(Br)ccc1O
InChIInChI=1S/C15H11BrN2O4/c16-10-2-3-12(19)11(6-10)15(20)18-17-7-9-1-4-13-14(5-9)22-8-21-13/h1-7,19H,8H2,(H,18,20)/b17-7-
InChIKeyWAKLBJCNKLZDJN-IDUWFGFVSA-N
XLogP2.65
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 52.65
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-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide
CID 5357673
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-bromobenzamide
CID 3358206
N-[(3-bromo-4-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 3943959
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135642296
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136843544
3-(1,3-benzodioxol-5-yl)-1-(5-bromo-2-hydroxyphenyl)prop-2-en-1-one
CID 70155296
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-bis(4-bromophenyl)-2-hydroxyacetamide
CID 6872143
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
CID 6894182
5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide
CID 58811449
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 2592818
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(4-bromophenoxy)propanamide
CID 3678892

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-bromo-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-bromo-2-hydroxybenzamide (CID 6062036) is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-bromo-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-bromo-2-hydroxybenzamide is O=C(N/N=C\c1ccc2c(c1)OCO2)c1cc(Br)ccc1O.
What is the InChIKey of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-bromo-2-hydroxybenzamide?
The InChIKey is WAKLBJCNKLZDJN-IDUWFGFVSA-N. The full InChI is InChI=1S/C15H11BrN2O4/c16-10-2-3-12(19)11(6-10)15(20)18-17-7-9-1-4-13-14(5-9)22-8-21-13/h1-7,19H,8H2,(H,18,20)/b17-7-.
What are the key properties of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-bromo-2-hydroxybenzamide?
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-bromo-2-hydroxybenzamide has a molecular weight of 363.17 g/mol, XLogP of 2.65, 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]-5-bromo-2-hydroxybenzamide is sourced from PubChem (CID 6062036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).