2-(5-phenyltetrazol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide

C17H13F3N6O — CID 6872090

IUPAC2-(5-phenyltetrazol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F3N6O/c18-17(19,20)14-9-5-4-8-13(14)10-21-22-15(27)11-26-24-16(23-25-26)12-6-2-1-3-7-12/h1-10H,11H2,(H,22,27)/b21-10+
InChIKeyXWILWLODOBFXON-UFFVCSGVSA-N
MW374.33 g/mol
LogP2.51
Rot. Bonds5

About 2-(5-phenyltetrazol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide

2-(5-phenyltetrazol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide (PubChem CID 6872090) has the molecular formula C17H13F3N6O and a molecular weight of 374.33 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
PubChem CID6872090
Molecular FormulaC17H13F3N6O
Molecular Weight374.33 g/mol
Exact Mass374.11
IUPAC Name2-(5-phenyltetrazol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F3N6O/c18-17(19,20)14-9-5-4-8-13(14)10-21-22-15(27)11-26-24-16(23-25-26)12-6-2-1-3-7-12/h1-10H,11H2,(H,22,27)/b21-10+
InChIKeyXWILWLODOBFXON-UFFVCSGVSA-N
XLogP2.51
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 52.51
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'}

Analyze 2-(5-phenyltetrazol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]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 2-(5-phenyltetrazol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide (CID 6872090) is 2-(5-phenyltetrazol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The InChIKey is XWILWLODOBFXON-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H13F3N6O/c18-17(19,20)14-9-5-4-8-13(14)10-21-22-15(27)11-26-24-16(23-25-26)12-6-2-1-3-7-12/h1-10H,11H2,(H,22,27)/b21-10+.
What are the key properties of 2-(5-phenyltetrazol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
2-(5-phenyltetrazol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide has a molecular weight of 374.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 6872090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).