N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide

C15H13BrN2O3 — CID 137203260

IUPACN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NN=Cc2cc(Br)ccc2O)c1O
InChIInChI=1S/C15H13BrN2O3/c1-9-3-2-4-12(14(9)20)15(21)18-17-8-10-7-11(16)5-6-13(10)19/h2-8,19-20H,1H3,(H,18,21)
InChIKeyFRPYXHHDEIGVPT-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.93
Rot. Bonds3

About N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide (PubChem CID 137203260) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
PubChem CID137203260
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NN=Cc2cc(Br)ccc2O)c1O
InChIInChI=1S/C15H13BrN2O3/c1-9-3-2-4-12(14(9)20)15(21)18-17-8-10-7-11(16)5-6-13(10)19/h2-8,19-20H,1H3,(H,18,21)
InChIKeyFRPYXHHDEIGVPT-UHFFFAOYSA-N
XLogP2.93
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.93
H-Bond Donors ≤ 53
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-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 719568
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 913575
5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136815793
2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 136677269
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 135615369
4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide
CID 135458900
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 3835530
N-[(E)-ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 20646050
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135419703
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5335710

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide (CID 137203260) is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NN=Cc2cc(Br)ccc2O)c1O.
What is the InChIKey of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide?
The InChIKey is FRPYXHHDEIGVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-9-3-2-4-12(14(9)20)15(21)18-17-8-10-7-11(16)5-6-13(10)19/h2-8,19-20H,1H3,(H,18,21).
What are the key properties of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide?
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide has a molecular weight of 349.18 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 137203260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).