2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide

C15H14BrN3O2 — CID 9359023

IUPAC2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C15H14BrN3O2/c1-11(12-3-2-8-17-9-12)18-19-15(20)10-21-14-6-4-13(16)5-7-14/h2-9H,10H2,1H3,(H,19,20)/b18-11-
InChIKeyGXYZGYOGUWCPAK-WQRHYEAKSA-N
MW348.20 g/mol
LogP2.76
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide

2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide (PubChem CID 9359023) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
PubChem CID9359023
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C15H14BrN3O2/c1-11(12-3-2-8-17-9-12)18-19-15(20)10-21-14-6-4-13(16)5-7-14/h2-9H,10H2,1H3,(H,19,20)/b18-11-
InChIKeyGXYZGYOGUWCPAK-WQRHYEAKSA-N
XLogP2.76
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.76
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-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 4047158
2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
CID 25237297
2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide
CID 3466804
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 3748878
2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
CID 44726615
2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5428473

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide (CID 9359023) is 2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide is C/C(=N/NC(=O)COc1ccc(Br)cc1)c1cccnc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide?
The InChIKey is GXYZGYOGUWCPAK-WQRHYEAKSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-11(12-3-2-8-17-9-12)18-19-15(20)10-21-14-6-4-13(16)5-7-14/h2-9H,10H2,1H3,(H,19,20)/b18-11-.
What are the key properties of 2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide?
2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide has a molecular weight of 348.20 g/mol, XLogP of 2.76, 5 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-pyridin-3-ylethylideneamino]acetamide is sourced from PubChem (CID 9359023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).