N-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide

C18H19BrN2O4 — CID 135674764

IUPACN-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide
SMILESCC/C(=N\NC(=O)COc1ccccc1OC)c1cc(Br)ccc1O
InChIInChI=1S/C18H19BrN2O4/c1-3-14(13-10-12(19)8-9-15(13)22)20-21-18(23)11-25-17-7-5-4-6-16(17)24-2/h4-10,22H,3,11H2,1-2H3,(H,21,23)/b20-14+
InChIKeyHXBWKDKBLWPUCD-XSFVSMFZSA-N
MW407.26 g/mol
LogP3.47
Rot. Bonds7

About N-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide

N-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide (PubChem CID 135674764) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is N-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide
PubChem CID135674764
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC NameN-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide
SMILESCC/C(=N\NC(=O)COc1ccccc1OC)c1cc(Br)ccc1O
InChIInChI=1S/C18H19BrN2O4/c1-3-14(13-10-12(19)8-9-15(13)22)20-21-18(23)11-25-17-7-5-4-6-16(17)24-2/h4-10,22H,3,11H2,1-2H3,(H,21,23)/b20-14+
InChIKeyHXBWKDKBLWPUCD-XSFVSMFZSA-N
XLogP3.47
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 ≤ 53.47
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

2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 136866793
N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 3988211
N-[1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 4845784
2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
CID 6534157
2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6123990
2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide
CID 135575981
5-bromo-2-hydroxy-N-[(Z)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126072144
2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 3468088
5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 17350254
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135607411
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037
1-(5-bromo-2-methoxyphenyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 50850566

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide (CID 135674764) is N-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide is CC/C(=N\NC(=O)COc1ccccc1OC)c1cc(Br)ccc1O.
What is the InChIKey of N-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is HXBWKDKBLWPUCD-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-3-14(13-10-12(19)8-9-15(13)22)20-21-18(23)11-25-17-7-5-4-6-16(17)24-2/h4-10,22H,3,11H2,1-2H3,(H,21,23)/b20-14+.
What are the key properties of N-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide?
N-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 407.26 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 135674764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).