N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide

C15H12N2O3 — CID 6894182

IUPACN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C15H12N2O3/c18-15(12-4-2-1-3-5-12)17-16-9-11-6-7-13-14(8-11)20-10-19-13/h1-9H,10H2,(H,17,18)/b16-9+
InChIKeyLDCJHBPONKAQST-CXUHLZMHSA-N
MW268.27 g/mol
LogP2.18
Rot. Bonds3

About N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide

N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide (PubChem CID 6894182) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
PubChem CID6894182
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC NameN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C15H12N2O3/c18-15(12-4-2-1-3-5-12)17-16-9-11-6-7-13-14(8-11)20-10-19-13/h1-9H,10H2,(H,17,18)/b16-9+
InChIKeyLDCJHBPONKAQST-CXUHLZMHSA-N
XLogP2.18
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
CID 6909474
3-benzamido-N-(1,3-benzodioxol-5-ylmethylideneamino)benzamide
CID 71960327
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide
CID 5404525
N-(1,3-benzodioxol-5-ylmethylideneamino)-1-phenacylpyridin-1-ium-4-carboxamide
CID 3104433
N-(benzylideneamino)-1,3-benzodioxole-5-carboxamide
CID 834948
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 2592818
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxybenzamide
CID 5357673
N-[(Z)-(4-anilinophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9044893
N-(1,3-benzodioxol-5-ylmethylideneamino)-3-nitrobenzamide
CID 590072
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-bromobenzamide
CID 3358206
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135642296
N-[(3-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2693777

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide?
The IUPAC name of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide (CID 6894182) is N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide.
What is the SMILES notation for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide?
The canonical SMILES for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide?
The InChIKey is LDCJHBPONKAQST-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-15(12-4-2-1-3-5-12)17-16-9-11-6-7-13-14(8-11)20-10-19-13/h1-9H,10H2,(H,17,18)/b16-9+.
What are the key properties of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide?
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide has a molecular weight of 268.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide is sourced from PubChem (CID 6894182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).