2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide

C16H13ClN6O2 — CID 137060149

IUPAC2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C\c1ccccc1O
InChIInChI=1S/C16H13ClN6O2/c17-13-7-3-2-6-12(13)16-20-22-23(21-16)10-15(25)19-18-9-11-5-1-4-8-14(11)24/h1-9,24H,10H2,(H,19,25)/b18-9-
InChIKeyMMYFXLIXJIBAHL-NVMNQCDNSA-N
MW356.77 g/mol
LogP1.85
Rot. Bonds5

About 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 137060149) has the molecular formula C16H13ClN6O2 and a molecular weight of 356.77 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID137060149
Molecular FormulaC16H13ClN6O2
Molecular Weight356.77 g/mol
Exact Mass356.08
IUPAC Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C\c1ccccc1O
InChIInChI=1S/C16H13ClN6O2/c17-13-7-3-2-6-12(13)16-20-22-23(21-16)10-15(25)19-18-9-11-5-1-4-8-14(11)24/h1-9,24H,10H2,(H,19,25)/b18-9-
InChIKeyMMYFXLIXJIBAHL-NVMNQCDNSA-N
XLogP1.85
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 137060149) is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C\c1ccccc1O.
What is the InChIKey of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is MMYFXLIXJIBAHL-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H13ClN6O2/c17-13-7-3-2-6-12(13)16-20-22-23(21-16)10-15(25)19-18-9-11-5-1-4-8-14(11)24/h1-9,24H,10H2,(H,19,25)/b18-9-.
What are the key properties of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 356.77 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 137060149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).