N-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide

C17H14IN3O3 — CID 118855496

IUPACN-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc3ccccc3[nH]2)c(I)c1O
InChIInChI=1S/C17H14IN3O3/c1-24-14-7-6-11(15(18)16(14)22)9-19-21-17(23)13-8-10-4-2-3-5-12(10)20-13/h2-9,20,22H,1H3,(H,21,23)/b19-9+
InChIKeyKRPIBUAYFXJMRS-DJKKODMXSA-N
MW435.22 g/mol
LogP3.25
Rot. Bonds4

About N-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide

N-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide (PubChem CID 118855496) has the molecular formula C17H14IN3O3 and a molecular weight of 435.22 g/mol. Its IUPAC name is N-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
PubChem CID118855496
Molecular FormulaC17H14IN3O3
Molecular Weight435.22 g/mol
Exact Mass435.01
IUPAC NameN-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc3ccccc3[nH]2)c(I)c1O
InChIInChI=1S/C17H14IN3O3/c1-24-14-7-6-11(15(18)16(14)22)9-19-21-17(23)13-8-10-4-2-3-5-12(10)20-13/h2-9,20,22H,1H3,(H,21,23)/b19-9+
InChIKeyKRPIBUAYFXJMRS-DJKKODMXSA-N
XLogP3.25
TPSA86.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.22
LogP ≤ 53.25
H-Bond Donors ≤ 53
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'}

Analyze N-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide 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

5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 6889967
N-[(E)-(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide
CID 6890306
N'-[(E)-(4-fluorophenyl)methylidene]-5,6-dimethoxy-1H-indole-2-carbohydrazide
CID 9557764
N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
CID 135580822
4,5-dimethoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 6878444
6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 6879573
5-ethoxy-N'-[(E)-(4-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
CID 6885106
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 6890547
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-4,6-dimethoxy-1H-indole-2-carbohydrazide
CID 135651354
N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-5-methoxy-1H-indole-2-carbohydrazide
CID 135651479
(E)-3,4-dimethoxy-N-(2-(2-((2-methyl-1H-indol-3-yl)methylene)hydrazinyl)-2-oxoethyl)benzamide
CID 135650440
(E)-N'-(3,5-dihydroxybenzylidene)-1H-indole-2-carbohydrazide (7)
CID 118855492

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide (CID 118855496) is N-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide is COc1ccc(/C=N/NC(=O)c2cc3ccccc3[nH]2)c(I)c1O.
What is the InChIKey of N-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
The InChIKey is KRPIBUAYFXJMRS-DJKKODMXSA-N. The full InChI is InChI=1S/C17H14IN3O3/c1-24-14-7-6-11(15(18)16(14)22)9-19-21-17(23)13-8-10-4-2-3-5-12(10)20-13/h2-9,20,22H,1H3,(H,21,23)/b19-9+.
What are the key properties of N-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
N-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide has a molecular weight of 435.22 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide is sourced from PubChem (CID 118855496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).