N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-iodobenzamide

C14H11IN2O2 — CID 135400407

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-iodobenzamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1ccccc1I
InChIInChI=1S/C14H11IN2O2/c15-13-4-2-1-3-12(13)14(19)17-16-9-10-5-7-11(18)8-6-10/h1-9,18H,(H,17,19)/b16-9+
InChIKeyOQYIZXRSEPZKIX-CXUHLZMHSA-N
MW366.16 g/mol
LogP2.76
Rot. Bonds3

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

N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-iodobenzamide (PubChem CID 135400407) has the molecular formula C14H11IN2O2 and a molecular weight of 366.16 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-iodobenzamide
PubChem CID135400407
Molecular FormulaC14H11IN2O2
Molecular Weight366.16 g/mol
Exact Mass365.99
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-iodobenzamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1ccccc1I
InChIInChI=1S/C14H11IN2O2/c15-13-4-2-1-3-12(13)14(19)17-16-9-10-5-7-11(18)8-6-10/h1-9,18H,(H,17,19)/b16-9+
InChIKeyOQYIZXRSEPZKIX-CXUHLZMHSA-N
XLogP2.76
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Chel 180
CID 135445765
Gsk 4716
CID 5331325
(2-Hydroxybenzylidene)salicylohydrazide
CID 135484660
4-Hydroxybenzoic (2-hydroxybenzylidene)hydrazide
CID 135778696
N'-[(E)-(4-methoxyphenyl)methylidene]benzohydrazide
CID 6861535
2-Hydroxy-N'-[(E)-(3-hydroxyphenyl)methylidene]benzohydrazide
CID 6893640
4-hydroxy-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 6906205
(E)-4-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135412162
Salicylic (4-hydroxybenzylidene)hydrazide
CID 135504499
4-Methoxybenzoic benzylidenehydrazide
CID 9562118
Nsc204792
CID 135459102
(E)-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135459360

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-iodobenzamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-iodobenzamide (CID 135400407) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-iodobenzamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-iodobenzamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-iodobenzamide is O=C(N/N=C/c1ccc(O)cc1)c1ccccc1I.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-iodobenzamide?
The InChIKey is OQYIZXRSEPZKIX-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H11IN2O2/c15-13-4-2-1-3-12(13)14(19)17-16-9-10-5-7-11(18)8-6-10/h1-9,18H,(H,17,19)/b16-9+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-iodobenzamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-iodobenzamide has a molecular weight of 366.16 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-iodobenzamide is sourced from PubChem (CID 135400407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).