2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide

C17H17BrN2O3 — CID 3466806

IUPAC2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(C(C)=NNC(=O)COc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2O3/c1-12(13-3-7-15(22-2)8-4-13)19-20-17(21)11-23-16-9-5-14(18)6-10-16/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyMVXQJGXENIDQHX-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.38
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide

2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide (PubChem CID 3466806) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
PubChem CID3466806
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(C(C)=NNC(=O)COc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2O3/c1-12(13-3-7-15(22-2)8-4-13)19-20-17(21)11-23-16-9-5-14(18)6-10-16/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyMVXQJGXENIDQHX-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

N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide
CID 3466804
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044
N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9315862
N-[1-(4-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4109084
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
2-(2,4-dibromo-6-methylphenoxy)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6127038
N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 3543666
2-(2-bromo-4-methylphenoxy)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6123669
N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 7965570

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide (CID 3466806) is 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide is COc1ccc(C(C)=NNC(=O)COc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide?
The InChIKey is MVXQJGXENIDQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-12(13-3-7-15(22-2)8-4-13)19-20-17(21)11-23-16-9-5-14(18)6-10-16/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide?
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]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 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 3466806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).