1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide

C15H13N3O5 — CID 135883000

IUPAC1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
SMILESO=C(NO)c1cccc(C(=O)N/N=C/c2cccc(O)c2O)c1
InChIInChI=1S/C15H13N3O5/c19-12-6-2-5-11(13(12)20)8-16-17-14(21)9-3-1-4-10(7-9)15(22)18-23/h1-8,19-20,23H,(H,17,21)(H,18,22)/b16-8+
InChIKeyMWIWFALWVRIKCC-LZYBPNLTSA-N
MW315.29 g/mol
LogP0.98
Rot. Bonds4

About 1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide

1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide (PubChem CID 135883000) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
PubChem CID135883000
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
SMILESO=C(NO)c1cccc(C(=O)N/N=C/c2cccc(O)c2O)c1
InChIInChI=1S/C15H13N3O5/c19-12-6-2-5-11(13(12)20)8-16-17-14(21)9-3-1-4-10(7-9)15(22)18-23/h1-8,19-20,23H,(H,17,21)(H,18,22)/b16-8+
InChIKeyMWIWFALWVRIKCC-LZYBPNLTSA-N
XLogP0.98
TPSA131.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 50.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide
CID 135421615
N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
CID 5041852
1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 44506519
1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 44507406
1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 44507546
N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499236
N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2693831
3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135905938
3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
3-(2,5-dimethylpyrrol-1-yl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
CID 136961293

Frequently Asked Questions

What is the IUPAC name of 1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide (CID 135883000) is 1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide is O=C(NO)c1cccc(C(=O)N/N=C/c2cccc(O)c2O)c1.
What is the InChIKey of 1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide?
The InChIKey is MWIWFALWVRIKCC-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H13N3O5/c19-12-6-2-5-11(13(12)20)8-16-17-14(21)9-3-1-4-10(7-9)15(22)18-23/h1-8,19-20,23H,(H,17,21)(H,18,22)/b16-8+.
What are the key properties of 1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide?
1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide has a molecular weight of 315.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 135883000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).