N-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide

C16H12F2N6O — CID 42998227

IUPACN-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESC/C(=N\NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H12F2N6O/c1-10(12-4-7-14(17)15(18)8-12)20-21-16(25)11-2-5-13(6-3-11)24-9-19-22-23-24/h2-9H,1H3,(H,21,25)/b20-10+
InChIKeyLXOXZTIWCUAEBK-KEBDBYFISA-N
MW342.31 g/mol
LogP2.09
Rot. Bonds4

About N-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide

N-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide (PubChem CID 42998227) has the molecular formula C16H12F2N6O and a molecular weight of 342.31 g/mol. Its IUPAC name is N-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
PubChem CID42998227
Molecular FormulaC16H12F2N6O
Molecular Weight342.31 g/mol
Exact Mass342.10
IUPAC NameN-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESC/C(=N\NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H12F2N6O/c1-10(12-4-7-14(17)15(18)8-12)20-21-16(25)11-2-5-13(6-3-11)24-9-19-22-23-24/h2-9H,1H3,(H,21,25)/b20-10+
InChIKeyLXOXZTIWCUAEBK-KEBDBYFISA-N
XLogP2.09
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 52.09
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

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-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998171
N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42999207
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
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
N-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 4854323
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 8981672
2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9016446
4-(tetrazol-1-yl)benzohydrazide
CID 2114009

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide (CID 42998227) is N-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide is C/C(=N\NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
The InChIKey is LXOXZTIWCUAEBK-KEBDBYFISA-N. The full InChI is InChI=1S/C16H12F2N6O/c1-10(12-4-7-14(17)15(18)8-12)20-21-16(25)11-2-5-13(6-3-11)24-9-19-22-23-24/h2-9H,1H3,(H,21,25)/b20-10+.
What are the key properties of N-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
N-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide has a molecular weight of 342.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42998227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).