N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide

C14H10Br2N2O2 — CID 135455568

IUPACN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1
InChIInChI=1S/C14H10Br2N2O2/c15-11-6-10(13(19)12(16)7-11)8-17-18-14(20)9-4-2-1-3-5-9/h1-8,19H,(H,18,20)/b17-8+
InChIKeyMKKXIACLVFTWLV-CAOOACKPSA-N
MW398.05 g/mol
LogP3.68
Rot. Bonds3

About N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide

N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135455568) has the molecular formula C14H10Br2N2O2 and a molecular weight of 398.05 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135455568
Molecular FormulaC14H10Br2N2O2
Molecular Weight398.05 g/mol
Exact Mass395.91
IUPAC NameN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1
InChIInChI=1S/C14H10Br2N2O2/c15-11-6-10(13(19)12(16)7-11)8-17-18-14(20)9-4-2-1-3-5-9/h1-8,19H,(H,18,20)/b17-8+
InChIKeyMKKXIACLVFTWLV-CAOOACKPSA-N
XLogP3.68
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.05
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide (CID 135455568) is N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1.
What is the InChIKey of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is MKKXIACLVFTWLV-CAOOACKPSA-N. The full InChI is InChI=1S/C14H10Br2N2O2/c15-11-6-10(13(19)12(16)7-11)8-17-18-14(20)9-4-2-1-3-5-9/h1-8,19H,(H,18,20)/b17-8+.
What are the key properties of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide?
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 398.05 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135455568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).