5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide

C16H12Br2N2O2 — CID 6896293

IUPAC5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
SMILESO=C(N/N=C/C(Br)=C\c1ccccc1)c1cc(Br)ccc1O
InChIInChI=1S/C16H12Br2N2O2/c17-12-6-7-15(21)14(9-12)16(22)20-19-10-13(18)8-11-4-2-1-3-5-11/h1-10,21H,(H,20,22)/b13-8+,19-10+
InChIKeyXXNRYJNZKIHICC-MGXGLFJDSA-N
MW424.09 g/mol
LogP4.31
Rot. Bonds4

About 5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide

5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide (PubChem CID 6896293) has the molecular formula C16H12Br2N2O2 and a molecular weight of 424.09 g/mol. Its IUPAC name is 5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
PubChem CID6896293
Molecular FormulaC16H12Br2N2O2
Molecular Weight424.09 g/mol
Exact Mass421.93
IUPAC Name5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
SMILESO=C(N/N=C/C(Br)=C\c1ccccc1)c1cc(Br)ccc1O
InChIInChI=1S/C16H12Br2N2O2/c17-12-6-7-15(21)14(9-12)16(22)20-19-10-13(18)8-11-4-2-1-3-5-11/h1-10,21H,(H,20,22)/b13-8+,19-10+
InChIKeyXXNRYJNZKIHICC-MGXGLFJDSA-N
XLogP4.31
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.09
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
CID 5333947
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide
CID 6025230
1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 123764142
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247
N-[[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-nitrobenzamide
CID 1367855
5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide
CID 58811449
5-bromo-N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 762173
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide
CID 4587352
2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6898776
N-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide
CID 71960210
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide
CID 5407602
5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 5335668

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide (CID 6896293) is 5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide is O=C(N/N=C/C(Br)=C\c1ccccc1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide?
The InChIKey is XXNRYJNZKIHICC-MGXGLFJDSA-N. The full InChI is InChI=1S/C16H12Br2N2O2/c17-12-6-7-15(21)14(9-12)16(22)20-19-10-13(18)8-11-4-2-1-3-5-11/h1-10,21H,(H,20,22)/b13-8+,19-10+.
What are the key properties of 5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide?
5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide has a molecular weight of 424.09 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide is sourced from PubChem (CID 6896293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).