5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide

C19H19BrN2O4 — CID 6275932

IUPAC5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccc(/C=N\NC(=O)c2cc(Br)ccc2OC)cc1OC
InChIInChI=1S/C19H19BrN2O4/c1-4-9-26-17-7-5-13(10-18(17)25-3)12-21-22-19(23)15-11-14(20)6-8-16(15)24-2/h4-8,10-12H,1,9H2,2-3H3,(H,22,23)/b21-12-
InChIKeySJRIYQYFYXMSFW-MTJSOVHGSA-N
MW419.28 g/mol
LogP3.80
Rot. Bonds8

About 5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide

5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide (PubChem CID 6275932) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
PubChem CID6275932
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC Name5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccc(/C=N\NC(=O)c2cc(Br)ccc2OC)cc1OC
InChIInChI=1S/C19H19BrN2O4/c1-4-9-26-17-7-5-13(10-18(17)25-3)12-21-22-19(23)15-11-14(20)6-8-16(15)24-2/h4-8,10-12H,1,9H2,2-3H3,(H,22,23)/b21-12-
InChIKeySJRIYQYFYXMSFW-MTJSOVHGSA-N
XLogP3.80
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-prop-2-enoxybenzamide
CID 4177540
5-bromo-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-prop-2-enoxybenzamide
CID 3656361
[4-[[(5-bromo-2-prop-2-enoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 3425347
5-bromo-N-[(3-chlorophenyl)methylideneamino]-2-prop-2-enoxybenzamide
CID 5061666
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136843544
[4-[(E)-[(5-bromo-2-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 6872836
[4-[(Z)-[(5-bromo-2-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 5430839
2-hydroxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]propanamide
CID 3247960
N-[(E)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126337575
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126321514
N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 8989358
5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4109085

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide (CID 6275932) is 5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide is C=CCOc1ccc(/C=N\NC(=O)c2cc(Br)ccc2OC)cc1OC.
What is the InChIKey of 5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The InChIKey is SJRIYQYFYXMSFW-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c1-4-9-26-17-7-5-13(10-18(17)25-3)12-21-22-19(23)15-11-14(20)6-8-16(15)24-2/h4-8,10-12H,1,9H2,2-3H3,(H,22,23)/b21-12-.
What are the key properties of 5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide?
5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide has a molecular weight of 419.28 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6275932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).