N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide

C17H17IN2O4 — CID 4112051

IUPACN-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide
SMILESCOc1cc(NC(=O)c2ccccc2I)c(OC)cc1NC(C)=O
InChIInChI=1S/C17H17IN2O4/c1-10(21)19-13-8-16(24-3)14(9-15(13)23-2)20-17(22)11-6-4-5-7-12(11)18/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyCEBUGEGWVXTYGW-UHFFFAOYSA-N
MW440.24 g/mol
LogP3.52
Rot. Bonds5

About N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide

N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide (PubChem CID 4112051) has the molecular formula C17H17IN2O4 and a molecular weight of 440.24 g/mol. Its IUPAC name is N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide
PubChem CID4112051
Molecular FormulaC17H17IN2O4
Molecular Weight440.24 g/mol
Exact Mass440.02
IUPAC NameN-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide
SMILESCOc1cc(NC(=O)c2ccccc2I)c(OC)cc1NC(C)=O
InChIInChI=1S/C17H17IN2O4/c1-10(21)19-13-8-16(24-3)14(9-15(13)23-2)20-17(22)11-6-4-5-7-12(11)18/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyCEBUGEGWVXTYGW-UHFFFAOYSA-N
XLogP3.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.24
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide 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-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide
CID 43549160
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(3-acetamido-4-methylphenyl)-2-iodobenzamide
CID 54777055
N-(2-bromo-5-methoxyphenyl)-2-iodobenzamide
CID 62416238
2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 38020238
N-(2-iodophenyl)-2-methoxy-5-methylbenzamide
CID 34049921
methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate
CID 2988921
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
N-(2-iodophenyl)-2,4-dimethoxybenzamide
CID 3340182

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide?
The IUPAC name of N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide (CID 4112051) is N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide.
What is the SMILES notation for N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide?
The canonical SMILES for N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide is COc1cc(NC(=O)c2ccccc2I)c(OC)cc1NC(C)=O.
What is the InChIKey of N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide?
The InChIKey is CEBUGEGWVXTYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O4/c1-10(21)19-13-8-16(24-3)14(9-15(13)23-2)20-17(22)11-6-4-5-7-12(11)18/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide?
N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide has a molecular weight of 440.24 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide is sourced from PubChem (CID 4112051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).