N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide

C15H15N3O3 — CID 17337828

IUPACN-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide
SMILESC/C(=N\NC(=O)c1cc(O)ccc1O)c1cccc(N)c1
InChIInChI=1S/C15H15N3O3/c1-9(10-3-2-4-11(16)7-10)17-18-15(21)13-8-12(19)5-6-14(13)20/h2-8,19-20H,16H2,1H3,(H,18,21)/b17-9+
InChIKeyCCJNXYNQODROMV-RQZCQDPDSA-N
MW285.30 g/mol
LogP1.83
Rot. Bonds3

About N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide

N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide (PubChem CID 17337828) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide
PubChem CID17337828
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide
SMILESC/C(=N\NC(=O)c1cc(O)ccc1O)c1cccc(N)c1
InChIInChI=1S/C15H15N3O3/c1-9(10-3-2-4-11(16)7-10)17-18-15(21)13-8-12(19)5-6-14(13)20/h2-8,19-20H,16H2,1H3,(H,18,21)/b17-9+
InChIKeyCCJNXYNQODROMV-RQZCQDPDSA-N
XLogP1.83
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 135647794
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide
CID 5376677
N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide
CID 769756
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 135683679
N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 5336340
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337800
5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135706744
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-hydroxybenzamide
CID 9077930

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide?
The IUPAC name of N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide (CID 17337828) is N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide.
What is the SMILES notation for N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide?
The canonical SMILES for N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide is C/C(=N\NC(=O)c1cc(O)ccc1O)c1cccc(N)c1.
What is the InChIKey of N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide?
The InChIKey is CCJNXYNQODROMV-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9(10-3-2-4-11(16)7-10)17-18-15(21)13-8-12(19)5-6-14(13)20/h2-8,19-20H,16H2,1H3,(H,18,21)/b17-9+.
What are the key properties of N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide?
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide has a molecular weight of 285.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide is sourced from PubChem (CID 17337828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).