N-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide

C15H11FN6O — CID 4854323

IUPACN-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NN=Cc1ccccc1F)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H11FN6O/c16-14-4-2-1-3-12(14)9-17-19-15(23)11-5-7-13(8-6-11)22-10-18-20-21-22/h1-10H,(H,19,23)
InChIKeyXWYBRLWGMMEJRT-UHFFFAOYSA-N
MW310.29 g/mol
LogP1.57
Rot. Bonds4

About N-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide

N-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide (PubChem CID 4854323) has the molecular formula C15H11FN6O and a molecular weight of 310.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
PubChem CID4854323
Molecular FormulaC15H11FN6O
Molecular Weight310.29 g/mol
Exact Mass310.10
IUPAC NameN-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NN=Cc1ccccc1F)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H11FN6O/c16-14-4-2-1-3-12(14)9-17-19-15(23)11-5-7-13(8-6-11)22-10-18-20-21-22/h1-10H,(H,19,23)
InChIKeyXWYBRLWGMMEJRT-UHFFFAOYSA-N
XLogP1.57
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 51.57
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-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42999207
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 8981672
methyl 4-[(E)-[[4-(tetrazol-1-yl)benzoyl]hydrazinylidene]methyl]benzoate
CID 42998177
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998225
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998216
N-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 4850354
N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 4848296
N-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998227
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998138
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 6179485

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide (CID 4854323) is N-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide is O=C(NN=Cc1ccccc1F)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
The InChIKey is XWYBRLWGMMEJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6O/c16-14-4-2-1-3-12(14)9-17-19-15(23)11-5-7-13(8-6-11)22-10-18-20-21-22/h1-10H,(H,19,23).
What are the key properties of N-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
N-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide has a molecular weight of 310.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 4854323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).