5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide

C18H19BrN2O4 — CID 136843572

IUPAC5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
SMILESCOc1ccc(O)c(/C=N\NC(=O)c2cc(Br)ccc2OC(C)C)c1
InChIInChI=1S/C18H19BrN2O4/c1-11(2)25-17-7-4-13(19)9-15(17)18(23)21-20-10-12-8-14(24-3)5-6-16(12)22/h4-11,22H,1-3H3,(H,21,23)/b20-10-
InChIKeyAEZCPWWWDSXAMO-JMIUGGIZSA-N
MW407.26 g/mol
LogP3.71
Rot. Bonds6

About 5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide

5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide (PubChem CID 136843572) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
PubChem CID136843572
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
SMILESCOc1ccc(O)c(/C=N\NC(=O)c2cc(Br)ccc2OC(C)C)c1
InChIInChI=1S/C18H19BrN2O4/c1-11(2)25-17-7-4-13(19)9-15(17)18(23)21-20-10-12-8-14(24-3)5-6-16(12)22/h4-11,22H,1-3H3,(H,21,23)/b20-10-
InChIKeyAEZCPWWWDSXAMO-JMIUGGIZSA-N
XLogP3.71
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.71
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

5-bromo-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 135957632
5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136815793
5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 136843558
N-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 135613710
N-[(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 3913272
5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide
CID 136843557
5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135959958
5-bromo-N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 1282664
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 44507388
N-[1-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 135717378
5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 5335668
1-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-3-[(E)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]urea
CID 6875439

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide (CID 136843572) is 5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide is COc1ccc(O)c(/C=N\NC(=O)c2cc(Br)ccc2OC(C)C)c1.
What is the InChIKey of 5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide?
The InChIKey is AEZCPWWWDSXAMO-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-11(2)25-17-7-4-13(19)9-15(17)18(23)21-20-10-12-8-14(24-3)5-6-16(12)22/h4-11,22H,1-3H3,(H,21,23)/b20-10-.
What are the key properties of 5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide?
5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide has a molecular weight of 407.26 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 136843572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).