3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide

C14H11IN2O3 — CID 137080354

IUPAC3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)c(I)c1)c1cccc(O)c1
InChIInChI=1S/C14H11IN2O3/c15-12-6-9(4-5-13(12)19)8-16-17-14(20)10-2-1-3-11(18)7-10/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyFDJXAODWFSZNKY-LZYBPNLTSA-N
MW382.16 g/mol
LogP2.47
Rot. Bonds3

About 3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide

3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide (PubChem CID 137080354) has the molecular formula C14H11IN2O3 and a molecular weight of 382.16 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
PubChem CID137080354
Molecular FormulaC14H11IN2O3
Molecular Weight382.16 g/mol
Exact Mass381.98
IUPAC Name3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)c(I)c1)c1cccc(O)c1
InChIInChI=1S/C14H11IN2O3/c15-12-6-9(4-5-13(12)19)8-16-17-14(20)10-2-1-3-11(18)7-10/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyFDJXAODWFSZNKY-LZYBPNLTSA-N
XLogP2.47
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.16
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137050197
N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110
N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide
CID 2695972
N-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 3927350
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide
CID 137020316
3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6911445
2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 135642762
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
5-bromo-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 135643230
N-[(4-hydroxy-3-iodophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3531966
5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 136794132

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide?
The IUPAC name of 3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide (CID 137080354) is 3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide?
The canonical SMILES for 3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(O)c(I)c1)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide?
The InChIKey is FDJXAODWFSZNKY-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11IN2O3/c15-12-6-9(4-5-13(12)19)8-16-17-14(20)10-2-1-3-11(18)7-10/h1-8,18-19H,(H,17,20)/b16-8+.
What are the key properties of 3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide?
3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide has a molecular weight of 382.16 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide is sourced from PubChem (CID 137080354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).