N-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide

C16H13BrN6O — CID 46804640

IUPACN-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESC/C(=N\NC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1Br
InChIInChI=1S/C16H13BrN6O/c1-11(14-4-2-3-5-15(14)17)19-20-16(24)12-6-8-13(9-7-12)23-10-18-21-22-23/h2-10H,1H3,(H,20,24)/b19-11+
InChIKeyBRYIWIVKWIOPBE-YBFXNURJSA-N
MW385.23 g/mol
LogP2.58
Rot. Bonds4

About N-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide

N-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide (PubChem CID 46804640) has the molecular formula C16H13BrN6O and a molecular weight of 385.23 g/mol. Its IUPAC name is N-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
PubChem CID46804640
Molecular FormulaC16H13BrN6O
Molecular Weight385.23 g/mol
Exact Mass384.03
IUPAC NameN-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESC/C(=N\NC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1Br
InChIInChI=1S/C16H13BrN6O/c1-11(14-4-2-3-5-15(14)17)19-20-16(24)12-6-8-13(9-7-12)23-10-18-21-22-23/h2-10H,1H3,(H,20,24)/b19-11+
InChIKeyBRYIWIVKWIOPBE-YBFXNURJSA-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

2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9016446
N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 4848296
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 46804642
N-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998227
N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998171
4-hydroxy-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9072699
3,5-dinitro-N-[(E)-1-[4-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 44726593
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-bromobenzamide
CID 4301552
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998225
N-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 4854323
N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 6285513

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide (CID 46804640) is N-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide is C/C(=N\NC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1Br.
What is the InChIKey of N-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
The InChIKey is BRYIWIVKWIOPBE-YBFXNURJSA-N. The full InChI is InChI=1S/C16H13BrN6O/c1-11(14-4-2-3-5-15(14)17)19-20-16(24)12-6-8-13(9-7-12)23-10-18-21-22-23/h2-10H,1H3,(H,20,24)/b19-11+.
What are the key properties of N-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
N-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)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 N-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 46804640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).