N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide

C18H13BrN2O3 — CID 135459005

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1cc2ccccc2cc1O
InChIInChI=1S/C18H13BrN2O3/c19-14-5-6-16(22)13(7-14)10-20-21-18(24)15-8-11-3-1-2-4-12(11)9-17(15)23/h1-10,22-23H,(H,21,24)/b20-10+
InChIKeyXTFYZTFVHVNUEN-KEBDBYFISA-N
MW385.22 g/mol
LogP3.78
Rot. Bonds3

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 135459005) has the molecular formula C18H13BrN2O3 and a molecular weight of 385.22 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID135459005
Molecular FormulaC18H13BrN2O3
Molecular Weight385.22 g/mol
Exact Mass384.01
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1cc2ccccc2cc1O
InChIInChI=1S/C18H13BrN2O3/c19-14-5-6-16(22)13(7-14)10-20-21-18(24)15-8-11-3-1-2-4-12(11)9-17(15)23/h1-10,22-23H,(H,21,24)/b20-10+
InChIKeyXTFYZTFVHVNUEN-KEBDBYFISA-N
XLogP3.78
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 135459005) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is O=C(N/N=C/c1cc(Br)ccc1O)c1cc2ccccc2cc1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is XTFYZTFVHVNUEN-KEBDBYFISA-N. The full InChI is InChI=1S/C18H13BrN2O3/c19-14-5-6-16(22)13(7-14)10-20-21-18(24)15-8-11-3-1-2-4-12(11)9-17(15)23/h1-10,22-23H,(H,21,24)/b20-10+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 385.22 g/mol, XLogP of 3.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 135459005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).