N-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide

C25H18I2N2O3 — CID 4099852

IUPACN-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
SMILESO=C(NN=Cc1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccccc1O
InChIInChI=1S/C25H18I2N2O3/c26-21-12-16(14-28-29-25(31)20-10-3-4-11-23(20)30)13-22(27)24(21)32-15-18-8-5-7-17-6-1-2-9-19(17)18/h1-14,30H,15H2,(H,29,31)
InChIKeyWUPFGMLUCSEHBI-UHFFFAOYSA-N
MW648.24 g/mol
LogP6.10
Rot. Bonds6

About N-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide

N-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide (PubChem CID 4099852) has the molecular formula C25H18I2N2O3 and a molecular weight of 648.24 g/mol. Its IUPAC name is N-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
PubChem CID4099852
Molecular FormulaC25H18I2N2O3
Molecular Weight648.24 g/mol
Exact Mass647.94
IUPAC NameN-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
SMILESO=C(NN=Cc1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccccc1O
InChIInChI=1S/C25H18I2N2O3/c26-21-12-16(14-28-29-25(31)20-10-3-4-11-23(20)30)13-22(27)24(21)32-15-18-8-5-7-17-6-1-2-9-19(17)18/h1-14,30H,15H2,(H,29,31)
InChIKeyWUPFGMLUCSEHBI-UHFFFAOYSA-N
XLogP6.10
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.24
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-methylbenzamide
CID 19060876
N-[[4-[(2-fluorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3537534
N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide
CID 6011240
N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 126388643
N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126226811
N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126367547
2-(4-chlorophenyl)-N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126148819
2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
CID 3943827
2-chloro-N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 126059438
5-chloro-N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126031279
N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiophene-2-carboxamide
CID 124533288
1-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-ethylthiourea
CID 126377218

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide (CID 4099852) is N-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide is O=C(NN=Cc1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccccc1O.
What is the InChIKey of N-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is WUPFGMLUCSEHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18I2N2O3/c26-21-12-16(14-28-29-25(31)20-10-3-4-11-23(20)30)13-22(27)24(21)32-15-18-8-5-7-17-6-1-2-9-19(17)18/h1-14,30H,15H2,(H,29,31).
What are the key properties of N-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide?
N-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 648.24 g/mol, XLogP of 6.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 4099852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).