2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide

C17H11Br2N7O2 — CID 1247175

IUPAC2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
SMILESN#Cc1ccccc1-c1nnn(CC(=O)NN=Cc2cc(Br)cc(Br)c2O)n1
InChIInChI=1S/C17H11Br2N7O2/c18-12-5-11(16(28)14(19)6-12)8-21-22-15(27)9-26-24-17(23-25-26)13-4-2-1-3-10(13)7-20/h1-6,8,28H,9H2,(H,22,27)
InChIKeyDIBNMCDMWCFJGP-UHFFFAOYSA-N
MW505.13 g/mol
LogP2.59
Rot. Bonds5

About 2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide

2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 1247175) has the molecular formula C17H11Br2N7O2 and a molecular weight of 505.13 g/mol. Its IUPAC name is 2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID1247175
Molecular FormulaC17H11Br2N7O2
Molecular Weight505.13 g/mol
Exact Mass502.93
IUPAC Name2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
SMILESN#Cc1ccccc1-c1nnn(CC(=O)NN=Cc2cc(Br)cc(Br)c2O)n1
InChIInChI=1S/C17H11Br2N7O2/c18-12-5-11(16(28)14(19)6-12)8-21-22-15(27)9-26-24-17(23-25-26)13-4-2-1-3-10(13)7-20/h1-6,8,28H,9H2,(H,22,27)
InChIKeyDIBNMCDMWCFJGP-UHFFFAOYSA-N
XLogP2.59
TPSA129.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.13
LogP ≤ 52.59
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'}

Analyze 2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)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

Related Compounds

N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 1079468
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 137127449
2-[5-(2-cyanophenyl)tetrazol-2-yl]acetohydrazide
CID 4139717
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3762135
N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 5235899
2-(5-phenyltetrazol-2-yl)-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 8524097
N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 73253796
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 137101711
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
2-(4-benzylpiperazin-1-yl)-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 135487283
N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3449801
N,N'-bis[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]heptanediamide
CID 136802008

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide (CID 1247175) is 2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide is N#Cc1ccccc1-c1nnn(CC(=O)NN=Cc2cc(Br)cc(Br)c2O)n1.
What is the InChIKey of 2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is DIBNMCDMWCFJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2N7O2/c18-12-5-11(16(28)14(19)6-12)8-21-22-15(27)9-26-24-17(23-25-26)13-4-2-1-3-10(13)7-20/h1-6,8,28H,9H2,(H,22,27).
What are the key properties of 2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide?
2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 505.13 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 1247175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).