3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide

C14H9Br3N2O2 — CID 137362064

IUPAC3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(Br)cc1O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H9Br3N2O2/c15-10-2-1-8(13(20)6-10)7-18-19-14(21)9-3-11(16)5-12(17)4-9/h1-7,20H,(H,19,21)/b18-7-
InChIKeyYYEBYAQFTXFLST-WSVATBPTSA-N
MW476.95 g/mol
LogP4.44
Rot. Bonds3

About 3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide

3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 137362064) has the molecular formula C14H9Br3N2O2 and a molecular weight of 476.95 g/mol. Its IUPAC name is 3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID137362064
Molecular FormulaC14H9Br3N2O2
Molecular Weight476.95 g/mol
Exact Mass473.82
IUPAC Name3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(Br)cc1O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H9Br3N2O2/c15-10-2-1-8(13(20)6-10)7-18-19-14(21)9-3-11(16)5-12(17)4-9/h1-7,20H,(H,19,21)/b18-7-
InChIKeyYYEBYAQFTXFLST-WSVATBPTSA-N
XLogP4.44
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.95
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4,5-dibromo-N-[(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 142499246
4-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135511246
4-bromo-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135504175
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzamide
CID 136766998
4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135576312
3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135905942
5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 135455727
3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-tert-butylbenzamide
CID 135604314
3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
CID 137361735
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135738438

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide (CID 137362064) is 3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(Br)cc1O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is YYEBYAQFTXFLST-WSVATBPTSA-N. The full InChI is InChI=1S/C14H9Br3N2O2/c15-10-2-1-8(13(20)6-10)7-18-19-14(21)9-3-11(16)5-12(17)4-9/h1-7,20H,(H,19,21)/b18-7-.
What are the key properties of 3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 476.95 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 137362064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).