2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide

C17H15BrN6O2 — CID 44726615

IUPAC2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccc(Br)cc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H15BrN6O2/c1-12(13-3-2-4-15(9-13)24-11-19-22-23-24)20-21-17(25)10-26-16-7-5-14(18)6-8-16/h2-9,11H,10H2,1H3,(H,21,25)/b20-12+
InChIKeyHEODBBZRPMGSIM-UDWIEESQSA-N
MW415.25 g/mol
LogP2.34
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide

2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide (PubChem CID 44726615) has the molecular formula C17H15BrN6O2 and a molecular weight of 415.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
PubChem CID44726615
Molecular FormulaC17H15BrN6O2
Molecular Weight415.25 g/mol
Exact Mass414.04
IUPAC Name2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccc(Br)cc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H15BrN6O2/c1-12(13-3-2-4-15(9-13)24-11-19-22-23-24)20-21-17(25)10-26-16-7-5-14(18)6-8-16/h2-9,11H,10H2,1H3,(H,21,25)/b20-12+
InChIKeyHEODBBZRPMGSIM-UDWIEESQSA-N
XLogP2.34
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
CID 44726598
2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044
N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9016446
2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 9359023
4-hydroxy-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9072699
2-(4-bromophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 17011484
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 6285513
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide
CID 3466804
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide (CID 44726615) is 2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide is C/C(=N\NC(=O)COc1ccc(Br)cc1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide?
The InChIKey is HEODBBZRPMGSIM-UDWIEESQSA-N. The full InChI is InChI=1S/C17H15BrN6O2/c1-12(13-3-2-4-15(9-13)24-11-19-22-23-24)20-21-17(25)10-26-16-7-5-14(18)6-8-16/h2-9,11H,10H2,1H3,(H,21,25)/b20-12+.
What are the key properties of 2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide?
2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide has a molecular weight of 415.25 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide is sourced from PubChem (CID 44726615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).