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

C16H13N7O4 — CID 135444050

IUPACN-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cccc([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)/b17-9+
InChIKeyKYBLSCDXUXRBAI-RQZCQDPDSA-N
MW367.33 g/mol
LogP1.10
Rot. Bonds6

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

N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 135444050) has the molecular formula C16H13N7O4 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID135444050
Molecular FormulaC16H13N7O4
Molecular Weight367.33 g/mol
Exact Mass367.10
IUPAC NameN-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cccc([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)/b17-9+
InChIKeyKYBLSCDXUXRBAI-RQZCQDPDSA-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'}

Analyze N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 135444050) is N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is KYBLSCDXUXRBAI-RQZCQDPDSA-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)/b17-9+.
What are the key properties of N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(E)-(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-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 135444050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).