N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide

C15H12N2O4 — CID 135628803

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H12N2O4/c18-12-4-2-1-3-11(12)8-16-17-15(19)10-5-6-13-14(7-10)21-9-20-13/h1-8,18H,9H2,(H,17,19)/b16-8+
InChIKeyXWWKJWLWVNKCAE-LZYBPNLTSA-N
MW284.27 g/mol
LogP1.88
Rot. Bonds3

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide (PubChem CID 135628803) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
PubChem CID135628803
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H12N2O4/c18-12-4-2-1-3-11(12)8-16-17-15(19)10-5-6-13-14(7-10)21-9-20-13/h1-8,18H,9H2,(H,17,19)/b16-8+
InChIKeyXWWKJWLWVNKCAE-LZYBPNLTSA-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': '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

N'-benzylidene-1,3-benzodioxole-5-carbohydrazide
CID 6872189
N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 5503194
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135576617
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 670460
N'-(5-Bromo-2-hydroxybenzylidene)-3,4-dimethoxybenzohydrazide
CID 135558504
3,4-Dimethoxy-N'-(2-methyl-3-phenyl-2-propenylidene)benzohydrazide
CID 5411894
Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
2-[(E)-{2-[(3,4-dimethoxyphenyl)carbonyl]hydrazinylidene}methyl]benzoic acid
CID 6906996
N'-(4-(benzyloxy)-3-methoxybenzylidene)benzo[d][1,3]dioxole-5-carbohydrazide
CID 9618971
N'-(2,4-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
CID 2526877
N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 5799507
N-[(E)-(2-pentylcyclopent-2-en-1-ylidene)amino]-1,3-benzodioxole-5-carboxamide
CID 6146228

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide (CID 135628803) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide is O=C(N/N=C/c1ccccc1O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide?
The InChIKey is XWWKJWLWVNKCAE-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-12-4-2-1-3-11(12)8-16-17-15(19)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-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide 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-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 135628803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).