N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3,5-dihydroxybenzamide

C15H13BrN2O5 — CID 129396730

IUPACN-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3,5-dihydroxybenzamide
SMILESCOc1cc(Br)c(/C=N\NC(=O)c2cc(O)cc(O)c2)cc1O
InChIInChI=1S/C15H13BrN2O5/c1-23-14-6-12(16)9(4-13(14)21)7-17-18-15(22)8-2-10(19)5-11(20)3-8/h2-7,19-21H,1H3,(H,18,22)/b17-7-
InChIKeyIBMPDDOSHSEPNU-IDUWFGFVSA-N
MW381.18 g/mol
LogP2.34
Rot. Bonds4

About N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3,5-dihydroxybenzamide

N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3,5-dihydroxybenzamide (PubChem CID 129396730) has the molecular formula C15H13BrN2O5 and a molecular weight of 381.18 g/mol. Its IUPAC name is N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3,5-dihydroxybenzamide
PubChem CID129396730
Molecular FormulaC15H13BrN2O5
Molecular Weight381.18 g/mol
Exact Mass380.00
IUPAC NameN-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3,5-dihydroxybenzamide
SMILESCOc1cc(Br)c(/C=N\NC(=O)c2cc(O)cc(O)c2)cc1O
InChIInChI=1S/C15H13BrN2O5/c1-23-14-6-12(16)9(4-13(14)21)7-17-18-15(22)8-2-10(19)5-11(20)3-8/h2-7,19-21H,1H3,(H,18,22)/b17-7-
InChIKeyIBMPDDOSHSEPNU-IDUWFGFVSA-N
XLogP2.34
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.18
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 9060329
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 9016566
4-bromo-2-methoxy-5-[(E)-(sulfanylhydrazinylidene)methyl]phenol
CID 164566061
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 5430724
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 9015072
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 9077699
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3976610
3,5-dibromo-N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 3448520
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide
CID 5430767
3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 135419973
tert-butyl N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 135647526

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3,5-dihydroxybenzamide?
The IUPAC name of N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3,5-dihydroxybenzamide (CID 129396730) is N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3,5-dihydroxybenzamide is COc1cc(Br)c(/C=N\NC(=O)c2cc(O)cc(O)c2)cc1O.
What is the InChIKey of N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3,5-dihydroxybenzamide?
The InChIKey is IBMPDDOSHSEPNU-IDUWFGFVSA-N. The full InChI is InChI=1S/C15H13BrN2O5/c1-23-14-6-12(16)9(4-13(14)21)7-17-18-15(22)8-2-10(19)5-11(20)3-8/h2-7,19-21H,1H3,(H,18,22)/b17-7-.
What are the key properties of N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3,5-dihydroxybenzamide?
N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3,5-dihydroxybenzamide has a molecular weight of 381.18 g/mol, XLogP of 2.34, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3,5-dihydroxybenzamide is sourced from PubChem (CID 129396730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).