2-amino-3,5-dibromo-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide

C14H11Br2N3O3 — CID 136782230

IUPAC2-amino-3,5-dibromo-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESNc1c(Br)cc(Br)cc1C(=O)N/N=C\c1ccc(O)cc1O
InChIInChI=1S/C14H11Br2N3O3/c15-8-3-10(13(17)11(16)4-8)14(22)19-18-6-7-1-2-9(20)5-12(7)21/h1-6,20-21H,17H2,(H,19,22)/b18-6-
InChIKeyHHTGIEWTWDVYGT-FXBPXSCXSA-N
MW429.07 g/mol
LogP2.97
Rot. Bonds3

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

2-amino-3,5-dibromo-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide (PubChem CID 136782230) has the molecular formula C14H11Br2N3O3 and a molecular weight of 429.07 g/mol. Its IUPAC name is 2-amino-3,5-dibromo-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-3,5-dibromo-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
PubChem CID136782230
Molecular FormulaC14H11Br2N3O3
Molecular Weight429.07 g/mol
Exact Mass426.92
IUPAC Name2-amino-3,5-dibromo-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESNc1c(Br)cc(Br)cc1C(=O)N/N=C\c1ccc(O)cc1O
InChIInChI=1S/C14H11Br2N3O3/c15-8-3-10(13(17)11(16)4-8)14(22)19-18-6-7-1-2-9(20)5-12(7)21/h1-6,20-21H,17H2,(H,19,22)/b18-6-
InChIKeyHHTGIEWTWDVYGT-FXBPXSCXSA-N
XLogP2.97
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.07
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 135455727
2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide
CID 51061307
5-bromo-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 136765272
2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135606860
N-[(E)-(2-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135883082
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 45054611
2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 136661445
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135529636
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 137362064
2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 135699493

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dibromo-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-3,5-dibromo-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide (CID 136782230) is 2-amino-3,5-dibromo-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-3,5-dibromo-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-3,5-dibromo-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide is Nc1c(Br)cc(Br)cc1C(=O)N/N=C\c1ccc(O)cc1O.
What is the InChIKey of 2-amino-3,5-dibromo-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide?
The InChIKey is HHTGIEWTWDVYGT-FXBPXSCXSA-N. The full InChI is InChI=1S/C14H11Br2N3O3/c15-8-3-10(13(17)11(16)4-8)14(22)19-18-6-7-1-2-9(20)5-12(7)21/h1-6,20-21H,17H2,(H,19,22)/b18-6-.
What are the key properties of 2-amino-3,5-dibromo-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide?
2-amino-3,5-dibromo-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide has a molecular weight of 429.07 g/mol, XLogP of 2.97, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dibromo-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 136782230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).