2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide

C17H18INO2 — CID 55593721

IUPAC2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1ccccc1I
InChIInChI=1S/C17H18INO2/c1-12(13-8-5-7-11-16(13)21-3)19(2)17(20)14-9-4-6-10-15(14)18/h4-12H,1-3H3
InChIKeyOJJMHXGJANLVHV-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.13
Rot. Bonds4

About 2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide

2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 55593721) has the molecular formula C17H18INO2 and a molecular weight of 395.24 g/mol. Its IUPAC name is 2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
PubChem CID55593721
Molecular FormulaC17H18INO2
Molecular Weight395.24 g/mol
Exact Mass395.04
IUPAC Name2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1ccccc1I
InChIInChI=1S/C17H18INO2/c1-12(13-8-5-7-11-16(13)21-3)19(2)17(20)14-9-4-6-10-15(14)18/h4-12H,1-3H3
InChIKeyOJJMHXGJANLVHV-UHFFFAOYSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.13
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

2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75806999
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95571609
2-iodo-N-methyl-N-(1-phenylethyl)benzamide
CID 60655087
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
2,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 74627130
methyl (2S)-2-[(2-iodobenzoyl)-methylamino]propanoate
CID 100647713
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,3-dimethyl-2-nitrobenzamide
CID 32629259
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 95226525
3,4,5-trimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-nitrobenzamide
CID 55588364
6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103889671
2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112692105

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide (CID 55593721) is 2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide is COc1ccccc1C(C)N(C)C(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is OJJMHXGJANLVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO2/c1-12(13-8-5-7-11-16(13)21-3)19(2)17(20)14-9-4-6-10-15(14)18/h4-12H,1-3H3.
What are the key properties of 2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 395.24 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 55593721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).