N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C16H11Br2FN6O2 — CID 137127449

IUPACN-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C\c1cc(Br)cc(Br)c1O
InChIInChI=1S/C16H11Br2FN6O2/c17-11-5-10(15(27)13(18)6-11)7-20-21-14(26)8-25-23-16(22-24-25)9-1-3-12(19)4-2-9/h1-7,27H,8H2,(H,21,26)/b20-7-
InChIKeyBGFFLPFXJQHTHF-SCDVKCJHSA-N
MW498.11 g/mol
LogP2.86
Rot. Bonds5

About N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 137127449) has the molecular formula C16H11Br2FN6O2 and a molecular weight of 498.11 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID137127449
Molecular FormulaC16H11Br2FN6O2
Molecular Weight498.11 g/mol
Exact Mass495.93
IUPAC NameN-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C\c1cc(Br)cc(Br)c1O
InChIInChI=1S/C16H11Br2FN6O2/c17-11-5-10(15(27)13(18)6-11)7-20-21-14(26)8-25-23-16(22-24-25)9-1-3-12(19)4-2-9/h1-7,27H,8H2,(H,21,26)/b20-7-
InChIKeyBGFFLPFXJQHTHF-SCDVKCJHSA-N
XLogP2.86
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.11
LogP ≤ 52.86
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'}

Analyze N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-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

Related Compounds

N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 1079468
N-[(Z)-(3-bromophenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 6032432
2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 1247175
N-[[4-(diethylamino)phenyl]methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 4064611
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide
CID 137051480
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
N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 9355676
2-(5-phenyltetrazol-2-yl)-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 8524097
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
CID 136816637
N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 16517367
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 137127449) is N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C\c1cc(Br)cc(Br)c1O.
What is the InChIKey of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is BGFFLPFXJQHTHF-SCDVKCJHSA-N. The full InChI is InChI=1S/C16H11Br2FN6O2/c17-11-5-10(15(27)13(18)6-11)7-20-21-14(26)8-25-23-16(22-24-25)9-1-3-12(19)4-2-9/h1-7,27H,8H2,(H,21,26)/b20-7-.
What are the key properties of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 498.11 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 137127449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).