N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide

C16H14N2O3 — CID 6909474

IUPACN-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C16H14N2O3/c19-16(13-4-2-1-3-5-13)18-17-11-12-6-7-14-15(10-12)21-9-8-20-14/h1-7,10-11H,8-9H2,(H,18,19)/b17-11+
InChIKeyOWFRRUDQHUQYJC-GZTJUZNOSA-N
MW282.30 g/mol
LogP2.22
Rot. Bonds3

About N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide

N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide (PubChem CID 6909474) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
PubChem CID6909474
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C16H14N2O3/c19-16(13-4-2-1-3-5-13)18-17-11-12-6-7-14-15(10-12)21-9-8-20-14/h1-7,10-11H,8-9H2,(H,18,19)/b17-11+
InChIKeyOWFRRUDQHUQYJC-GZTJUZNOSA-N
XLogP2.22
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.22
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)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
CID 6894182
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)benzamide
CID 2306297
4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)benzamide
CID 2643480
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 2592818
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-3-carboxamide
CID 6898640
3-benzamido-N-(1,3-benzodioxol-5-ylmethylideneamino)benzamide
CID 71960327
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-2-carboxamide
CID 44507518
N-(1,3-benzodioxol-5-ylmethylideneamino)-1-phenacylpyridin-1-ium-4-carboxamide
CID 3104433
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4-(4-imino-3-oxobut-1-enyl)benzamide
CID 123983952
N-[(E)-(4-chlorophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 171978503
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide
CID 5404525
2-anilino-N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide
CID 6904248

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide?
The IUPAC name of N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide (CID 6909474) is N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide.
What is the SMILES notation for N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide?
The canonical SMILES for N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccc2c(c1)OCCO2)c1ccccc1.
What is the InChIKey of N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide?
The InChIKey is OWFRRUDQHUQYJC-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-16(13-4-2-1-3-5-13)18-17-11-12-6-7-14-15(10-12)21-9-8-20-14/h1-7,10-11H,8-9H2,(H,18,19)/b17-11+.
What are the key properties of N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide?
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide has a molecular weight of 282.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide is sourced from PubChem (CID 6909474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).