5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide

C17H17ClINO3 — CID 55605627

IUPAC5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)N(C)CCOc1ccccc1
InChIInChI=1S/C17H17ClINO3/c1-20(8-9-23-12-6-4-3-5-7-12)17(21)13-10-14(18)15(19)11-16(13)22-2/h3-7,10-11H,8-9H2,1-2H3
InChIKeyMOCFVPCPFRLHST-UHFFFAOYSA-N
MW445.68 g/mol
LogP4.10
Rot. Bonds6

About 5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide

5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide (PubChem CID 55605627) has the molecular formula C17H17ClINO3 and a molecular weight of 445.68 g/mol. Its IUPAC name is 5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
PubChem CID55605627
Molecular FormulaC17H17ClINO3
Molecular Weight445.68 g/mol
Exact Mass444.99
IUPAC Name5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)N(C)CCOc1ccccc1
InChIInChI=1S/C17H17ClINO3/c1-20(8-9-23-12-6-4-3-5-7-12)17(21)13-10-14(18)15(19)11-16(13)22-2/h3-7,10-11H,8-9H2,1-2H3
InChIKeyMOCFVPCPFRLHST-UHFFFAOYSA-N
XLogP4.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.68
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-chloro-4-iodo-2-methoxybenzoyl)-methylamino]butanoic acid
CID 43360141
4-amino-5-chloro-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide;hydrochloride
CID 119689180
5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide
CID 107202751
4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide
CID 61114074
2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960771
N-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide
CID 75455669
N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide
CID 112793987
N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide
CID 31643858
2,4-dimethoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 18098220
2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 103891558
N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 112792660
3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide
CID 55344036

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide (CID 55605627) is 5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide is COc1cc(I)c(Cl)cc1C(=O)N(C)CCOc1ccccc1.
What is the InChIKey of 5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide?
The InChIKey is MOCFVPCPFRLHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClINO3/c1-20(8-9-23-12-6-4-3-5-7-12)17(21)13-10-14(18)15(19)11-16(13)22-2/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide?
5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide has a molecular weight of 445.68 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 55605627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).