N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide

C17H18INO2 — CID 61026834

IUPACN-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide
SMILESCCOc1ccccc1CN(C)C(=O)c1cccc(I)c1
InChIInChI=1S/C17H18INO2/c1-3-21-16-10-5-4-7-14(16)12-19(2)17(20)13-8-6-9-15(18)11-13/h4-11H,3,12H2,1-2H3
InChIKeyREVHNYQELVPRIS-UHFFFAOYSA-N
MW395.24 g/mol
LogP3.96
Rot. Bonds5

About N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide

N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide (PubChem CID 61026834) has the molecular formula C17H18INO2 and a molecular weight of 395.24 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide
PubChem CID61026834
Molecular FormulaC17H18INO2
Molecular Weight395.24 g/mol
Exact Mass395.04
IUPAC NameN-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide
SMILESCCOc1ccccc1CN(C)C(=O)c1cccc(I)c1
InChIInChI=1S/C17H18INO2/c1-3-21-16-10-5-4-7-14(16)12-19(2)17(20)13-8-6-9-15(18)11-13/h4-11H,3,12H2,1-2H3
InChIKeyREVHNYQELVPRIS-UHFFFAOYSA-N
XLogP3.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 47290646
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide
CID 55958040
3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 55861656
3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide
CID 55957402
4-(dimethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide
CID 55860503
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028026
3-[2-(dimethylamino)-2-oxoethoxy]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 55770594
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55958037
3-(tert-butylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide
CID 55861150
3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52560868
3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 60526368

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide (CID 61026834) is N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide is CCOc1ccccc1CN(C)C(=O)c1cccc(I)c1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide?
The InChIKey is REVHNYQELVPRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO2/c1-3-21-16-10-5-4-7-14(16)12-19(2)17(20)13-8-6-9-15(18)11-13/h4-11H,3,12H2,1-2H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide?
N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide has a molecular weight of 395.24 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide is sourced from PubChem (CID 61026834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).