N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide

C15H13BrN2O4 — CID 4616734

IUPACN-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NN=Cc1cc(Br)c(O)cc1O
InChIInChI=1S/C15H13BrN2O4/c1-22-14-5-3-2-4-10(14)15(21)18-17-8-9-6-11(16)13(20)7-12(9)19/h2-8,19-20H,1H3,(H,18,21)
InChIKeyJWBNSGRJRWXOJE-UHFFFAOYSA-N
MW365.18 g/mol
LogP2.63
Rot. Bonds4

About N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide

N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide (PubChem CID 4616734) has the molecular formula C15H13BrN2O4 and a molecular weight of 365.18 g/mol. Its IUPAC name is N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
PubChem CID4616734
Molecular FormulaC15H13BrN2O4
Molecular Weight365.18 g/mol
Exact Mass364.01
IUPAC NameN-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NN=Cc1cc(Br)c(O)cc1O
InChIInChI=1S/C15H13BrN2O4/c1-22-14-5-3-2-4-10(14)15(21)18-17-8-9-6-11(16)13(20)7-12(9)19/h2-8,19-20H,1H3,(H,18,21)
InChIKeyJWBNSGRJRWXOJE-UHFFFAOYSA-N
XLogP2.63
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 137061149
2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 135699493
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 9077699
N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505804
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137043306
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 54784673
5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136815793
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 44507388
N-[(E)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136712147
2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135922466
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135628735

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide (CID 4616734) is N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide is COc1ccccc1C(=O)NN=Cc1cc(Br)c(O)cc1O.
What is the InChIKey of N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide?
The InChIKey is JWBNSGRJRWXOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O4/c1-22-14-5-3-2-4-10(14)15(21)18-17-8-9-6-11(16)13(20)7-12(9)19/h2-8,19-20H,1H3,(H,18,21).
What are the key properties of N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide?
N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide has a molecular weight of 365.18 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 4616734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).