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

C16H12Br2N6O2 — CID 1079468

IUPACN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C16H12Br2N6O2/c17-12-6-11(15(26)13(18)7-12)8-19-20-14(25)9-24-22-16(21-23-24)10-4-2-1-3-5-10/h1-8,26H,9H2,(H,20,25)
InChIKeyQQKCSFPSOXZPPP-UHFFFAOYSA-N
MW480.12 g/mol
LogP2.72
Rot. Bonds5

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

N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 1079468) has the molecular formula C16H12Br2N6O2 and a molecular weight of 480.12 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID1079468
Molecular FormulaC16H12Br2N6O2
Molecular Weight480.12 g/mol
Exact Mass477.94
IUPAC NameN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C16H12Br2N6O2/c17-12-6-11(15(26)13(18)7-12)8-19-20-14(25)9-24-22-16(21-23-24)10-4-2-1-3-5-10/h1-8,26H,9H2,(H,20,25)
InChIKeyQQKCSFPSOXZPPP-UHFFFAOYSA-N
XLogP2.72
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.12
LogP ≤ 52.72
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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Related Compounds

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]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 1247175
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-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
2-(5-phenyltetrazol-2-yl)-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 8524097
N-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 679121
N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929862
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 6902043
N-[3-(4-bromophenyl)prop-2-enylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3802747
N-[(E)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 25250896

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 1079468) is N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cc(Br)cc(Br)c1O.
What is the InChIKey of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is QQKCSFPSOXZPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N6O2/c17-12-6-11(15(26)13(18)7-12)8-19-20-14(25)9-24-22-16(21-23-24)10-4-2-1-3-5-10/h1-8,26H,9H2,(H,20,25).
What are the key properties of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 480.12 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 1079468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).