3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide

C15H12Br2N2O3 — CID 135419973

IUPAC3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1Br
InChIInChI=1S/C15H12Br2N2O3/c1-22-14-5-2-9(7-12(14)17)15(21)19-18-8-10-6-11(16)3-4-13(10)20/h2-8,20H,1H3,(H,19,21)/b18-8+
InChIKeyOPBQZFLNCDJVCJ-QGMBQPNBSA-N
MW428.08 g/mol
LogP3.69
Rot. Bonds4

About 3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide

3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide (PubChem CID 135419973) has the molecular formula C15H12Br2N2O3 and a molecular weight of 428.08 g/mol. Its IUPAC name is 3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
PubChem CID135419973
Molecular FormulaC15H12Br2N2O3
Molecular Weight428.08 g/mol
Exact Mass425.92
IUPAC Name3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1Br
InChIInChI=1S/C15H12Br2N2O3/c1-22-14-5-2-9(7-12(14)17)15(21)19-18-8-10-6-11(16)3-4-13(10)20/h2-8,20H,1H3,(H,19,21)/b18-8+
InChIKeyOPBQZFLNCDJVCJ-QGMBQPNBSA-N
XLogP3.69
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.08
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135931429
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 137045325
5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136815793
1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 44507819
3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790
[4-bromo-2-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 3793767
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-tert-butylbenzamide
CID 135604314
5-bromo-N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 1282664
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5066879
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 913575
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzamide
CID 136766998

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide (CID 135419973) is 3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1Br.
What is the InChIKey of 3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide?
The InChIKey is OPBQZFLNCDJVCJ-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H12Br2N2O3/c1-22-14-5-2-9(7-12(14)17)15(21)19-18-8-10-6-11(16)3-4-13(10)20/h2-8,20H,1H3,(H,19,21)/b18-8+.
What are the key properties of 3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide?
3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide has a molecular weight of 428.08 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 135419973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).