N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-iodobenzamide

C14H11IN2O3 — CID 135488518

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-iodobenzamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1ccccc1I
InChIInChI=1S/C14H11IN2O3/c15-12-4-2-1-3-11(12)14(20)17-16-8-9-5-6-10(18)7-13(9)19/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyWXPXDFWFDYOJLY-LZYBPNLTSA-N
MW382.16 g/mol
LogP2.47
Rot. Bonds3

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-iodobenzamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-iodobenzamide (PubChem CID 135488518) has the molecular formula C14H11IN2O3 and a molecular weight of 382.16 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-iodobenzamide
PubChem CID135488518
Molecular FormulaC14H11IN2O3
Molecular Weight382.16 g/mol
Exact Mass381.98
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-iodobenzamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1ccccc1I
InChIInChI=1S/C14H11IN2O3/c15-12-4-2-1-3-11(12)14(20)17-16-8-9-5-6-10(18)7-13(9)19/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyWXPXDFWFDYOJLY-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_A(479)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-iodobenzamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-iodobenzamide (CID 135488518) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-iodobenzamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-iodobenzamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-iodobenzamide is O=C(N/N=C/c1ccc(O)cc1O)c1ccccc1I.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-iodobenzamide?
The InChIKey is WXPXDFWFDYOJLY-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11IN2O3/c15-12-4-2-1-3-11(12)14(20)17-16-8-9-5-6-10(18)7-13(9)19/h1-8,18-19H,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-iodobenzamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-iodobenzamide 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 N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-iodobenzamide is sourced from PubChem (CID 135488518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).