N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide

C16H14N2O3 — CID 5416358

IUPACN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H14N2O3/c1-11(13-7-8-14-15(9-13)21-10-20-14)17-18-16(19)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19)/b17-11-
InChIKeyBRMYNNUFXFURIT-BOPFTXTBSA-N
MW282.30 g/mol
LogP2.57
Rot. Bonds3

About N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide

N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide (PubChem CID 5416358) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide
PubChem CID5416358
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H14N2O3/c1-11(13-7-8-14-15(9-13)21-10-20-14)17-18-16(19)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19)/b17-11-
InChIKeyBRMYNNUFXFURIT-BOPFTXTBSA-N
XLogP2.57
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 ≤ 52.57
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-[1-(3-hydroxyphenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 4103586
N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-4-carboxamide
CID 6941497
N-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5419353
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-propan-2-ylbenzamide
CID 3616395
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide
CID 6261518
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-ethoxybenzamide
CID 3420877
N-[(Z)-1-pyridin-4-ylethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 5408947
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6255410
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 6028855
N'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide
CID 6085946
1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-phenylthiourea
CID 6941507
N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6265523

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide?
The IUPAC name of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide (CID 5416358) is N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide?
The canonical SMILES for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide?
The InChIKey is BRMYNNUFXFURIT-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-11(13-7-8-14-15(9-13)21-10-20-14)17-18-16(19)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19)/b17-11-.
What are the key properties of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide?
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide has a molecular weight of 282.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide is sourced from PubChem (CID 5416358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).