N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide

C14H12N2O4 — CID 135852734

IUPACN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
SMILESO=C(N/N=C/c1cccc(O)c1O)c1cccc(O)c1
InChIInChI=1S/C14H12N2O4/c17-11-5-1-3-9(7-11)14(20)16-15-8-10-4-2-6-12(18)13(10)19/h1-8,17-19H,(H,16,20)/b15-8+
InChIKeyQLGMZBGRUDVVPW-OVCLIPMQSA-N
MW272.26 g/mol
LogP1.57
Rot. Bonds3

About N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide

N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide (PubChem CID 135852734) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
PubChem CID135852734
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
SMILESO=C(N/N=C/c1cccc(O)c1O)c1cccc(O)c1
InChIInChI=1S/C14H12N2O4/c17-11-5-1-3-9(7-11)14(20)16-15-8-10-4-2-6-12(18)13(10)19/h1-8,17-19H,(H,16,20)/b15-8+
InChIKeyQLGMZBGRUDVVPW-OVCLIPMQSA-N
XLogP1.57
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide
CID 135421615
1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 135883000
N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110
3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911496
N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
CID 5041852
3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473
3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6911445
3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6911462
3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137080354
3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135645943
N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide
CID 6016653
N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide
CID 2695972

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide (CID 135852734) is N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide is O=C(N/N=C/c1cccc(O)c1O)c1cccc(O)c1.
What is the InChIKey of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide?
The InChIKey is QLGMZBGRUDVVPW-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-11-5-1-3-9(7-11)14(20)16-15-8-10-4-2-6-12(18)13(10)19/h1-8,17-19H,(H,16,20)/b15-8+.
What are the key properties of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide?
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide has a molecular weight of 272.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide is sourced from PubChem (CID 135852734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).