N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide

C18H18I2N2O4 — CID 126395066

IUPACN-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cc(I)c(OC(C)C)c(I)c2)c(O)c1
InChIInChI=1S/C18H18I2N2O4/c1-10(2)26-17-14(19)6-11(7-15(17)20)9-21-22-18(24)13-5-4-12(25-3)8-16(13)23/h4-10,23H,1-3H3,(H,22,24)/b21-9-
InChIKeyDSFFYHMMFQYSFK-NKVSQWTQSA-N
MW580.16 g/mol
LogP4.16
Rot. Bonds6

About N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide

N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide (PubChem CID 126395066) has the molecular formula C18H18I2N2O4 and a molecular weight of 580.16 g/mol. Its IUPAC name is N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
PubChem CID126395066
Molecular FormulaC18H18I2N2O4
Molecular Weight580.16 g/mol
Exact Mass579.94
IUPAC NameN-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cc(I)c(OC(C)C)c(I)c2)c(O)c1
InChIInChI=1S/C18H18I2N2O4/c1-10(2)26-17-14(19)6-11(7-15(17)20)9-21-22-18(24)13-5-4-12(25-3)8-16(13)23/h4-10,23H,1-3H3,(H,22,24)/b21-9-
InChIKeyDSFFYHMMFQYSFK-NKVSQWTQSA-N
XLogP4.16
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.16
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(Z)-benzylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396389
N-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 135613710
N-[(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 3913272
N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide
CID 99945386
2-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 137156038
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215270
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395056
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 137156000
N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 126388643
N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395065
N'-[(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 4542979
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide (CID 126395066) is N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)N/N=C\c2cc(I)c(OC(C)C)c(I)c2)c(O)c1.
What is the InChIKey of N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide?
The InChIKey is DSFFYHMMFQYSFK-NKVSQWTQSA-N. The full InChI is InChI=1S/C18H18I2N2O4/c1-10(2)26-17-14(19)6-11(7-15(17)20)9-21-22-18(24)13-5-4-12(25-3)8-16(13)23/h4-10,23H,1-3H3,(H,22,24)/b21-9-.
What are the key properties of N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide?
N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide has a molecular weight of 580.16 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 126395066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).