2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide

C17H17BrN2O3 — CID 9359044

IUPAC2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1cccc(/C(C)=N\NC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C17H17BrN2O3/c1-12(13-4-3-5-16(10-13)22-2)19-20-17(21)11-23-15-8-6-14(18)7-9-15/h3-10H,11H2,1-2H3,(H,20,21)/b19-12-
InChIKeyAPKULLKMLSFPBZ-UNOMPAQXSA-N
MW377.24 g/mol
LogP3.38
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide

2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide (PubChem CID 9359044) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
PubChem CID9359044
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1cccc(/C(C)=N\NC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C17H17BrN2O3/c1-12(13-4-3-5-16(10-13)22-2)19-20-17(21)11-23-15-8-6-14(18)7-9-15/h3-10H,11H2,1-2H3,(H,20,21)/b19-12-
InChIKeyAPKULLKMLSFPBZ-UNOMPAQXSA-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-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4133967
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 9359023
2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1039793
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
CID 44726615
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide
CID 3466804
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
2-(2,4-dichlorophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 6027225
[1-(3-methoxyphenyl)ethylideneamino]urea
CID 3676916

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide (CID 9359044) is 2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide is COc1cccc(/C(C)=N\NC(=O)COc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide?
The InChIKey is APKULLKMLSFPBZ-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-12(13-4-3-5-16(10-13)22-2)19-20-17(21)11-23-15-8-6-14(18)7-9-15/h3-10H,11H2,1-2H3,(H,20,21)/b19-12-.
What are the key properties of 2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide?
2-(4-bromophenoxy)-N-[(Z)-1-(3-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-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 9359044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).