N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide

C18H19BrN2O4 — CID 137145842

IUPACN-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)N/N=C\c2cc(OC)cc(Br)c2O)cc1
InChIInChI=1S/C18H19BrN2O4/c1-3-25-14-6-4-12(5-7-14)8-17(22)21-20-11-13-9-15(24-2)10-16(19)18(13)23/h4-7,9-11,23H,3,8H2,1-2H3,(H,21,22)/b20-11-
InChIKeyXHIYTKNJBLTREO-JAIQZWGSSA-N
MW407.26 g/mol
LogP3.25
Rot. Bonds7

About N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide

N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide (PubChem CID 137145842) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide
PubChem CID137145842
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC NameN-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)N/N=C\c2cc(OC)cc(Br)c2O)cc1
InChIInChI=1S/C18H19BrN2O4/c1-3-25-14-6-4-12(5-7-14)8-17(22)21-20-11-13-9-15(24-2)10-16(19)18(13)23/h4-7,9-11,23H,3,8H2,1-2H3,(H,21,22)/b20-11-
InChIKeyXHIYTKNJBLTREO-JAIQZWGSSA-N
XLogP3.25
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.25
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

N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 136789403
2-(4-chlorophenyl)-N-[(E)-(2-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 51061462
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 136727503
N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968708
N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4149416
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 137122722
N-[(E)-(2-bromo-4,5-diethoxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126249707
2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 136688651
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 5420756
N-[(E)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 135579484
2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135479558
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 137022207

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide (CID 137145842) is N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)N/N=C\c2cc(OC)cc(Br)c2O)cc1.
What is the InChIKey of N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide?
The InChIKey is XHIYTKNJBLTREO-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-3-25-14-6-4-12(5-7-14)8-17(22)21-20-11-13-9-15(24-2)10-16(19)18(13)23/h4-7,9-11,23H,3,8H2,1-2H3,(H,21,22)/b20-11-.
What are the key properties of N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide?
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide has a molecular weight of 407.26 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 137145842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).