N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide

C18H12Br2N2O4 — CID 135641258

IUPACN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1cc2ccccc2cc1O
InChIInChI=1S/C18H12Br2N2O4/c19-13-6-11(16(24)15(20)17(13)25)8-21-22-18(26)12-5-9-3-1-2-4-10(9)7-14(12)23/h1-8,23-25H,(H,22,26)/b21-8+
InChIKeyQITNYKPAIYQWMI-ODCIPOBUSA-N
MW480.11 g/mol
LogP4.25
Rot. Bonds3

About N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 135641258) has the molecular formula C18H12Br2N2O4 and a molecular weight of 480.11 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID135641258
Molecular FormulaC18H12Br2N2O4
Molecular Weight480.11 g/mol
Exact Mass477.92
IUPAC NameN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1cc2ccccc2cc1O
InChIInChI=1S/C18H12Br2N2O4/c19-13-6-11(16(24)15(20)17(13)25)8-21-22-18(26)12-5-9-3-1-2-4-10(9)7-14(12)23/h1-8,23-25H,(H,22,26)/b21-8+
InChIKeyQITNYKPAIYQWMI-ODCIPOBUSA-N
XLogP4.25
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.11
LogP ≤ 54.25
H-Bond Donors ≤ 54
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': '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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Related Compounds

Dyngo-4a
CID 136227923
3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135579623
N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
CID 135867735
4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135867737
3-Bromo-4-hydroxy-benzoic acid (4-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135544439
5-bromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide
CID 137227559
N'-(5-bromo-2-hydroxybenzylidene)-3-hydroxy-2-naphthohydrazide
CID 135459005
2,4-Dihydroxy-N'-((2-hydroxy-1-naphthyl)methylene)benzohydrazide
CID 135688483
Carbohydrazide derivative, 5e
CID 135867742
Carbohydrazide derivative, 5f
CID 135867743
Carbohydrazide derivative, 5g
CID 135867744
Carbohydrazide derivative, 5i
CID 135867745

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 135641258) is N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1cc2ccccc2cc1O.
What is the InChIKey of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is QITNYKPAIYQWMI-ODCIPOBUSA-N. The full InChI is InChI=1S/C18H12Br2N2O4/c19-13-6-11(16(24)15(20)17(13)25)8-21-22-18(26)12-5-9-3-1-2-4-10(9)7-14(12)23/h1-8,23-25H,(H,22,26)/b21-8+.
What are the key properties of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 480.11 g/mol, XLogP of 4.25, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 135641258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).