2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide

C16H13BrN6O — CID 9016446

IUPAC2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1Br)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H13BrN6O/c1-11(19-20-16(24)14-7-2-3-8-15(14)17)12-5-4-6-13(9-12)23-10-18-21-22-23/h2-10H,1H3,(H,20,24)/b19-11-
InChIKeyHAEWGEIUTNJUAT-ODLFYWEKSA-N
MW385.23 g/mol
LogP2.58
Rot. Bonds4

About 2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide

2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide (PubChem CID 9016446) has the molecular formula C16H13BrN6O and a molecular weight of 385.23 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
PubChem CID9016446
Molecular FormulaC16H13BrN6O
Molecular Weight385.23 g/mol
Exact Mass384.03
IUPAC Name2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1Br)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H13BrN6O/c1-11(19-20-16(24)14-7-2-3-8-15(14)17)12-5-4-6-13(9-12)23-10-18-21-22-23/h2-10H,1H3,(H,20,24)/b19-11-
InChIKeyHAEWGEIUTNJUAT-ODLFYWEKSA-N
XLogP2.58
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-hydroxy-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9072699
N-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 46804640
N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 6285513
2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 6084875
2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide
CID 5050427
2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
CID 44726615
N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998171
N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridin-2-amine
CID 9121680
2-(4-chlorophenyl)sulfanyl-5-nitro-N-[1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 5202039
2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9016439
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 46804642
N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline
CID 9069122

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide (CID 9016446) is 2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccccc1Br)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide?
The InChIKey is HAEWGEIUTNJUAT-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H13BrN6O/c1-11(19-20-16(24)14-7-2-3-8-15(14)17)12-5-4-6-13(9-12)23-10-18-21-22-23/h2-10H,1H3,(H,20,24)/b19-11-.
What are the key properties of 2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide?
2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide has a molecular weight of 385.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 9016446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).