N-[(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

C16H13N7O4 — CID 3099792

IUPACN-[(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C16H13N7O4/c24-14(10-22-20-16(19-21-22)11-5-2-1-3-6-11)18-17-9-12-7-4-8-13(15(12)25)23(26)27/h1-9,25H,10H2,(H,18,24)
InChIKeyKYBLSCDXUXRBAI-UHFFFAOYSA-N
MW367.33 g/mol
LogP1.10
Rot. Bonds6

About N-[(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 3099792) has the molecular formula C16H13N7O4 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-[(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID3099792
Molecular FormulaC16H13N7O4
Molecular Weight367.33 g/mol
Exact Mass367.10
IUPAC NameN-[(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C16H13N7O4/c24-14(10-22-20-16(19-21-22)11-5-2-1-3-6-11)18-17-9-12-7-4-8-13(15(12)25)23(26)27/h1-9,25H,10H2,(H,18,24)
InChIKeyKYBLSCDXUXRBAI-UHFFFAOYSA-N
XLogP1.10
TPSA148.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-{2-hydroxy-3-nitrobenzylidene}-2-(5-phenyl-2H-tetraazol-2-yl)acetohydrazide
CID 135444050
(5-Phenyl-tetrazol-2-yl)-acetic acid (2-hydroxy-5-nitro-benzylidene)-hydrazide
CID 135411808
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]acetamide
CID 4460198
N-[(1E)-2-(2-hydroxy-3,5-dinitrophenyl)-1-azavinyl]-2-[5-(4-fluorophenyl)(1,2, 3,4-tetraazol-2-yl)]acetamide
CID 135685496
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(Z)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]acetamide
CID 135868108
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3101648
2-[5-(2-chlorophenyl)-2H-tetraazol-2-yl]-N'-{2-hydroxy-3,5-bisnitrobenzylidene}acetohydrazide
CID 135479854
N'-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-2-(5-phenyl-2H-tetrazol-2-yl)acetohydrazide
CID 135509032
N'-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylidene]-2-(5-phenyl-2H-tetrazol-2-yl)acetohydrazide
CID 135536424
2-nitro-6-[(E)-[[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinylidene]methyl]phenolate
CID 6871462
1-[(2-Hydroxy-3-nitrophenyl)methylideneamino]-3-(5-phenyltetrazol-2-yl)propan-2-one
CID 157429516
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 1285921

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 3099792) is N-[(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cccc([N+](=O)[O-])c1O.
What is the InChIKey of N-[(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is KYBLSCDXUXRBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O4/c24-14(10-22-20-16(19-21-22)11-5-2-1-3-6-11)18-17-9-12-7-4-8-13(15(12)25)23(26)27/h1-9,25H,10H2,(H,18,24).
What are the key properties of N-[(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 367.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 3099792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).