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

C20H22ClN7O2 — CID 137127391

IUPAC2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(O)c(/C=N\NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C20H22ClN7O2/c1-3-27(4-2)15-9-10-18(29)14(11-15)12-22-23-19(30)13-28-25-20(24-26-28)16-7-5-6-8-17(16)21/h5-12,29H,3-4,13H2,1-2H3,(H,23,30)/b22-12-
InChIKeyJOTZMACGVXSJNZ-UUYOSTAYSA-N
MW427.90 g/mol
LogP2.70
Rot. Bonds8

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

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide (PubChem CID 137127391) has the molecular formula C20H22ClN7O2 and a molecular weight of 427.90 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
PubChem CID137127391
Molecular FormulaC20H22ClN7O2
Molecular Weight427.90 g/mol
Exact Mass427.15
IUPAC Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(O)c(/C=N\NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C20H22ClN7O2/c1-3-27(4-2)15-9-10-18(29)14(11-15)12-22-23-19(30)13-28-25-20(24-26-28)16-7-5-6-8-17(16)21/h5-12,29H,3-4,13H2,1-2H3,(H,23,30)/b22-12-
InChIKeyJOTZMACGVXSJNZ-UUYOSTAYSA-N
XLogP2.70
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

N'-{(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene}-2-(5-phenyl-2H-tetrazol-2-yl)acetohydrazide
CID 135457609
1-[3-(4-Chlorophenyl)-5-(2-hydroxyphenyl)tetrazol-3-ium-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone
CID 3080231
N-[[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 3419283
N-{(1E)-2-[5-(diethylamino)-2-hydroxyphenyl]-1-azavinyl}-2-[5-(4-fluorophenyl) (1,2,3,4-tetraazol-2-yl)]acetamide
CID 135699768
N-[(Z)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 136742623
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 2861380
2-[5-(4-Chlorophenyl)tetrazol-2-yl]-1-[4-(4-hydroxyphenyl)piperazin-1-yl]butan-1-one
CID 78823933
3-chloro-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol
CID 114318077
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 136851210
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 137060149

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
The IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide (CID 137127391) is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
The canonical SMILES for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide is CCN(CC)c1ccc(O)c(/C=N\NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c1.
What is the InChIKey of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
The InChIKey is JOTZMACGVXSJNZ-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H22ClN7O2/c1-3-27(4-2)15-9-10-18(29)14(11-15)12-22-23-19(30)13-28-25-20(24-26-28)16-7-5-6-8-17(16)21/h5-12,29H,3-4,13H2,1-2H3,(H,23,30)/b22-12-.
What are the key properties of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide has a molecular weight of 427.90 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide is sourced from PubChem (CID 137127391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).