N-(2-acetamido-5-chlorophenyl)-2-iodo-4,5-dimethoxybenzamide

C17H16ClIN2O4 — CID 60619805

IUPACN-(2-acetamido-5-chlorophenyl)-2-iodo-4,5-dimethoxybenzamide
SMILESCOc1cc(I)c(C(=O)Nc2cc(Cl)ccc2NC(C)=O)cc1OC
InChIInChI=1S/C17H16ClIN2O4/c1-9(22)20-13-5-4-10(18)6-14(13)21-17(23)11-7-15(24-2)16(25-3)8-12(11)19/h4-8H,1-3H3,(H,20,22)(H,21,23)
InChIKeyTZSHCUVOGPCPQE-UHFFFAOYSA-N
MW474.68 g/mol
LogP4.17
Rot. Bonds5

About N-(2-acetamido-5-chlorophenyl)-2-iodo-4,5-dimethoxybenzamide

N-(2-acetamido-5-chlorophenyl)-2-iodo-4,5-dimethoxybenzamide (PubChem CID 60619805) has the molecular formula C17H16ClIN2O4 and a molecular weight of 474.68 g/mol. Its IUPAC name is N-(2-acetamido-5-chlorophenyl)-2-iodo-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-acetamido-5-chlorophenyl)-2-iodo-4,5-dimethoxybenzamide
PubChem CID60619805
Molecular FormulaC17H16ClIN2O4
Molecular Weight474.68 g/mol
Exact Mass473.98
IUPAC NameN-(2-acetamido-5-chlorophenyl)-2-iodo-4,5-dimethoxybenzamide
SMILESCOc1cc(I)c(C(=O)Nc2cc(Cl)ccc2NC(C)=O)cc1OC
InChIInChI=1S/C17H16ClIN2O4/c1-9(22)20-13-5-4-10(18)6-14(13)21-17(23)11-7-15(24-2)16(25-3)8-12(11)19/h4-8H,1-3H3,(H,20,22)(H,21,23)
InChIKeyTZSHCUVOGPCPQE-UHFFFAOYSA-N
XLogP4.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.68
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-acetamido-5-chlorophenyl)-2-iodo-4,5-dimethoxybenzamide 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-acetamido-5-bromophenyl)-4-chloro-2-methoxybenzamide
CID 52851584
N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide
CID 1020033
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
N-(5-chloro-2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 837991
N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide
CID 103766869
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide
CID 60619551
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 81272413
N-(2-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 29274206
N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide
CID 4112051

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-chlorophenyl)-2-iodo-4,5-dimethoxybenzamide?
The IUPAC name of N-(2-acetamido-5-chlorophenyl)-2-iodo-4,5-dimethoxybenzamide (CID 60619805) is N-(2-acetamido-5-chlorophenyl)-2-iodo-4,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-acetamido-5-chlorophenyl)-2-iodo-4,5-dimethoxybenzamide?
The canonical SMILES for N-(2-acetamido-5-chlorophenyl)-2-iodo-4,5-dimethoxybenzamide is COc1cc(I)c(C(=O)Nc2cc(Cl)ccc2NC(C)=O)cc1OC.
What is the InChIKey of N-(2-acetamido-5-chlorophenyl)-2-iodo-4,5-dimethoxybenzamide?
The InChIKey is TZSHCUVOGPCPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClIN2O4/c1-9(22)20-13-5-4-10(18)6-14(13)21-17(23)11-7-15(24-2)16(25-3)8-12(11)19/h4-8H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-acetamido-5-chlorophenyl)-2-iodo-4,5-dimethoxybenzamide?
N-(2-acetamido-5-chlorophenyl)-2-iodo-4,5-dimethoxybenzamide has a molecular weight of 474.68 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-chlorophenyl)-2-iodo-4,5-dimethoxybenzamide is sourced from PubChem (CID 60619805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).