2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

C14H12BrN3O2 — CID 5391030

IUPAC2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
SMILESO=C(COc1cccc(Br)c1)N/N=C\c1ccccn1
InChIInChI=1S/C14H12BrN3O2/c15-11-4-3-6-13(8-11)20-10-14(19)18-17-9-12-5-1-2-7-16-12/h1-9H,10H2,(H,18,19)/b17-9-
InChIKeyMOIRFAMNCPKPGS-MFOYZWKCSA-N
MW334.17 g/mol
LogP2.37
Rot. Bonds5

About 2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide (PubChem CID 5391030) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
PubChem CID5391030
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
SMILESO=C(COc1cccc(Br)c1)N/N=C\c1ccccn1
InChIInChI=1S/C14H12BrN3O2/c15-11-4-3-6-13(8-11)20-10-14(19)18-17-9-12-5-1-2-7-16-12/h1-9H,10H2,(H,18,19)/b17-9-
InChIKeyMOIRFAMNCPKPGS-MFOYZWKCSA-N
XLogP2.37
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.37
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-naphthalen-2-yloxy-N-(pyridin-2-ylmethylideneamino)acetamide
CID 826768
2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide
CID 570404
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
2-(4-methoxyphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5425519
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide
CID 135419615
2-(3-bromophenoxy)-N-[(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 2641940
2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 598847
2-[4-[(E)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6909519
2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 7738182
2-(3-bromophenoxy)-N-[(E)-(2,3-dibromo-4,5-dihydroxyphenyl)methylideneamino]acetamide
CID 135715886
2-(3-bromophenoxy)-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]acetamide
CID 6144474
2-(3-bromophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135533115

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide (CID 5391030) is 2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is O=C(COc1cccc(Br)c1)N/N=C\c1ccccn1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The InChIKey is MOIRFAMNCPKPGS-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c15-11-4-3-6-13(8-11)20-10-14(19)18-17-9-12-5-1-2-7-16-12/h1-9H,10H2,(H,18,19)/b17-9-.
What are the key properties of 2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide has a molecular weight of 334.17 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 5391030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).