5-formyl-2-iodo-4-methoxybenzamide

C9H8INO3 — CID 171015652

IUPAC5-formyl-2-iodo-4-methoxybenzamide
SMILESCOc1cc(I)c(C(N)=O)cc1C=O
InChIInChI=1S/C9H8INO3/c1-14-8-3-7(10)6(9(11)13)2-5(8)4-12/h2-4H,1H3,(H2,11,13)
InChIKeyYHDAFVKOOZQFKW-UHFFFAOYSA-N
MW305.07 g/mol
LogP1.21
Rot. Bonds3

About 5-formyl-2-iodo-4-methoxybenzamide

5-formyl-2-iodo-4-methoxybenzamide (PubChem CID 171015652) has the molecular formula C9H8INO3 and a molecular weight of 305.07 g/mol. Its IUPAC name is 5-formyl-2-iodo-4-methoxybenzamide.

Molecular Properties

Compound Name5-formyl-2-iodo-4-methoxybenzamide
PubChem CID171015652
Molecular FormulaC9H8INO3
Molecular Weight305.07 g/mol
Exact Mass304.95
IUPAC Name5-formyl-2-iodo-4-methoxybenzamide
SMILESCOc1cc(I)c(C(N)=O)cc1C=O
InChIInChI=1S/C9H8INO3/c1-14-8-3-7(10)6(9(11)13)2-5(8)4-12/h2-4H,1H3,(H2,11,13)
InChIKeyYHDAFVKOOZQFKW-UHFFFAOYSA-N
XLogP1.21
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.07
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-formyl-2-iodo-4-methoxybenzamide 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-formyl-2-iodo-4-methoxybenzoyl chloride
CID 171015548
2-amino-4-formyl-5-methoxybenzamide
CID 58768479
2-cyano-5-formyl-4-methoxybenzamide
CID 171012907
5-iodo-2-methoxy-4-methylbenzaldehyde
CID 130739044
3-formyl-4-methoxybenzamide
CID 23141386
2-amino-5-iodo-4-methoxybenzaldehyde
CID 121473317
5-acetyl-4-fluoro-2-methoxybenzaldehyde
CID 171009098
5-formyl-4-iodo-2-nitrobenzamide
CID 171016571
5-acetyl-4-methoxy-2-methylbenzaldehyde
CID 171022024
4-formyl-5-iodo-2-nitrobenzamide
CID 171016271
2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid
CID 162265472
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441

Frequently Asked Questions

What is the IUPAC name of 5-formyl-2-iodo-4-methoxybenzamide?
The IUPAC name of 5-formyl-2-iodo-4-methoxybenzamide (CID 171015652) is 5-formyl-2-iodo-4-methoxybenzamide.
What is the SMILES notation for 5-formyl-2-iodo-4-methoxybenzamide?
The canonical SMILES for 5-formyl-2-iodo-4-methoxybenzamide is COc1cc(I)c(C(N)=O)cc1C=O.
What is the InChIKey of 5-formyl-2-iodo-4-methoxybenzamide?
The InChIKey is YHDAFVKOOZQFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INO3/c1-14-8-3-7(10)6(9(11)13)2-5(8)4-12/h2-4H,1H3,(H2,11,13).
What are the key properties of 5-formyl-2-iodo-4-methoxybenzamide?
5-formyl-2-iodo-4-methoxybenzamide has a molecular weight of 305.07 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-iodo-4-methoxybenzamide is sourced from PubChem (CID 171015652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).