N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide

C16H14N6O — CID 568805

IUPACN-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccccc1
InChIInChI=1S/C16H14N6O/c23-15(18-17-11-13-7-3-1-4-8-13)12-22-20-16(19-21-22)14-9-5-2-6-10-14/h1-11H,12H2,(H,18,23)
InChIKeyYVZUJMIQBHOOAE-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.49
Rot. Bonds5

About N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide

N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 568805) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID568805
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC NameN-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccccc1
InChIInChI=1S/C16H14N6O/c23-15(18-17-11-13-7-3-1-4-8-13)12-22-20-16(19-21-22)14-9-5-2-6-10-14/h1-11H,12H2,(H,18,23)
InChIKeyYVZUJMIQBHOOAE-UHFFFAOYSA-N
XLogP1.49
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.49
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-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239
N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 5235899
N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929862
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 6902043
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3964614
N-[[3-(difluoromethoxy)phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 4102305
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 119055721
N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 679124
N-[(3-phenylmethoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3909983
N-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929860
2-(5-phenyltetrazol-2-yl)-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 8524097
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3688564

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide (CID 568805) is N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccccc1.
What is the InChIKey of N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is YVZUJMIQBHOOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c23-15(18-17-11-13-7-3-1-4-8-13)12-22-20-16(19-21-22)14-9-5-2-6-10-14/h1-11H,12H2,(H,18,23).
What are the key properties of N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 306.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 568805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).