N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide

C17H17BrN2O3 — CID 4001401

IUPACN-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NN=C(C)c2cccc(Br)c2)cc1
InChIInChI=1S/C17H17BrN2O3/c1-12(13-4-3-5-14(18)10-13)19-20-17(21)11-23-16-8-6-15(22-2)7-9-16/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyJATPASXIQQPHAE-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.38
Rot. Bonds6

About N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide

N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide (PubChem CID 4001401) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
PubChem CID4001401
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NN=C(C)c2cccc(Br)c2)cc1
InChIInChI=1S/C17H17BrN2O3/c1-12(13-4-3-5-14(18)10-13)19-20-17(21)11-23-16-8-6-15(22-2)7-9-16/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyJATPASXIQQPHAE-UHFFFAOYSA-N
XLogP3.38
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.38
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

2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1039793
2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 9059627
N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4133967
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
CID 46501069
N-[1-(3-bromophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3694594
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
N-[1-(4-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4109084
N'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide
CID 2382990
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9315927

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide (CID 4001401) is N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NN=C(C)c2cccc(Br)c2)cc1.
What is the InChIKey of N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is JATPASXIQQPHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-12(13-4-3-5-14(18)10-13)19-20-17(21)11-23-16-8-6-15(22-2)7-9-16/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide?
N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 377.24 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 4001401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).