N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide

C17H17IN2O4 — CID 137062879

IUPACN-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)ccc1C(=O)N/N=C\c1cc(I)c(O)c(OC)c1
InChIInChI=1S/C17H17IN2O4/c1-10-4-5-12(14(6-10)23-2)17(22)20-19-9-11-7-13(18)16(21)15(8-11)24-3/h4-9,21H,1-3H3,(H,20,22)/b19-9-
InChIKeyFBIKCGADHVYJKC-OCKHKDLRSA-N
MW440.24 g/mol
LogP3.09
Rot. Bonds5

About N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide

N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide (PubChem CID 137062879) has the molecular formula C17H17IN2O4 and a molecular weight of 440.24 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
PubChem CID137062879
Molecular FormulaC17H17IN2O4
Molecular Weight440.24 g/mol
Exact Mass440.02
IUPAC NameN-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)ccc1C(=O)N/N=C\c1cc(I)c(O)c(OC)c1
InChIInChI=1S/C17H17IN2O4/c1-10-4-5-12(14(6-10)23-2)17(22)20-19-9-11-7-13(18)16(21)15(8-11)24-3/h4-9,21H,1-3H3,(H,20,22)/b19-9-
InChIKeyFBIKCGADHVYJKC-OCKHKDLRSA-N
XLogP3.09
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.24
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide
CID 137117330
N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137117417
2-chloro-N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-4-methylbenzamide
CID 135926013
N-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3395997
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-chloro-4-methylbenzamide
CID 135579559
4-[[2,6-diiodo-4-[(Z)-[(2-methoxy-4-methylbenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126008013
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 4613263
N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 136890927
N-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 136914355
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 135720024
3,4-diethoxy-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]benzamide
CID 137068545
N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-4-methylbenzamide
CID 137068277

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide?
The IUPAC name of N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide (CID 137062879) is N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide?
The canonical SMILES for N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide is COc1cc(C)ccc1C(=O)N/N=C\c1cc(I)c(O)c(OC)c1.
What is the InChIKey of N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide?
The InChIKey is FBIKCGADHVYJKC-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H17IN2O4/c1-10-4-5-12(14(6-10)23-2)17(22)20-19-9-11-7-13(18)16(21)15(8-11)24-3/h4-9,21H,1-3H3,(H,20,22)/b19-9-.
What are the key properties of N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide?
N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide has a molecular weight of 440.24 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide is sourced from PubChem (CID 137062879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).