N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide

C15H12Br2N2O3 — CID 137172581

IUPACN-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2O)c1
InChIInChI=1S/C15H12Br2N2O3/c1-22-12-4-2-3-9(6-12)15(21)19-18-8-10-5-11(16)7-13(17)14(10)20/h2-8,20H,1H3,(H,19,21)/b18-8-
InChIKeyQYJPSYVBAWZLTQ-LSCVHKIXSA-N
MW428.08 g/mol
LogP3.69
Rot. Bonds4

About N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide

N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide (PubChem CID 137172581) has the molecular formula C15H12Br2N2O3 and a molecular weight of 428.08 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide
PubChem CID137172581
Molecular FormulaC15H12Br2N2O3
Molecular Weight428.08 g/mol
Exact Mass425.92
IUPAC NameN-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2O)c1
InChIInChI=1S/C15H12Br2N2O3/c1-22-12-4-2-3-9(6-12)15(21)19-18-8-10-5-11(16)7-13(17)14(10)20/h2-8,20H,1H3,(H,19,21)/b18-8-
InChIKeyQYJPSYVBAWZLTQ-LSCVHKIXSA-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-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 137118711
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 137061149
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide
CID 137076884
N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide
CID 5194762
[2,4-dibromo-6-[[[3-[(3-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 126232751
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136912832
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
N-[(E)-[3,5-dibromo-2-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126278906
N-[(E)-[3,5-dibromo-2-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126277474
[2,4-dibromo-6-[[[3-[(3-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126231758
N-[(E)-[3,5-dibromo-2-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126267400

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide (CID 137172581) is N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide is COc1cccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2O)c1.
What is the InChIKey of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide?
The InChIKey is QYJPSYVBAWZLTQ-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H12Br2N2O3/c1-22-12-4-2-3-9(6-12)15(21)19-18-8-10-5-11(16)7-13(17)14(10)20/h2-8,20H,1H3,(H,19,21)/b18-8-.
What are the key properties of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide?
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-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 N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 137172581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).