5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide

C17H17ClINO2 — CID 46482881

IUPAC5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide
SMILESCCOCc1ccc(CNC(=O)c2cc(Cl)ccc2I)cc1
InChIInChI=1S/C17H17ClINO2/c1-2-22-11-13-5-3-12(4-6-13)10-20-17(21)15-9-14(18)7-8-16(15)19/h3-9H,2,10-11H2,1H3,(H,20,21)
InChIKeyMGMGSWIDDWKIPA-UHFFFAOYSA-N
MW429.69 g/mol
LogP4.41
Rot. Bonds6

About 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide

5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide (PubChem CID 46482881) has the molecular formula C17H17ClINO2 and a molecular weight of 429.69 g/mol. Its IUPAC name is 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide
PubChem CID46482881
Molecular FormulaC17H17ClINO2
Molecular Weight429.69 g/mol
Exact Mass429.00
IUPAC Name5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide
SMILESCCOCc1ccc(CNC(=O)c2cc(Cl)ccc2I)cc1
InChIInChI=1S/C17H17ClINO2/c1-2-22-11-13-5-3-12(4-6-13)10-20-17(21)15-9-14(18)7-8-16(15)19/h3-9H,2,10-11H2,1H3,(H,20,21)
InChIKeyMGMGSWIDDWKIPA-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.69
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(5-chloro-2-iodobenzoyl)amino]methyl]benzoic acid
CID 103790087
5-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-iodobenzamide
CID 55892518
5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide
CID 46483206
methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
CID 47190528
N-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide
CID 166212980
5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide
CID 113268309
5-chloro-2-iodo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227109
5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide
CID 113254459
methyl N-[4-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]carbamate
CID 55846445
5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 46453145
5-chloro-2-iodo-N-(2-methoxypropyl)benzamide
CID 102795252
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide?
The IUPAC name of 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide (CID 46482881) is 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide is CCOCc1ccc(CNC(=O)c2cc(Cl)ccc2I)cc1.
What is the InChIKey of 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide?
The InChIKey is MGMGSWIDDWKIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClINO2/c1-2-22-11-13-5-3-12(4-6-13)10-20-17(21)15-9-14(18)7-8-16(15)19/h3-9H,2,10-11H2,1H3,(H,20,21).
What are the key properties of 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide?
5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide has a molecular weight of 429.69 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide is sourced from PubChem (CID 46482881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).