2-ethyl-6-(iodomethoxy)benzamide

C10H12INO2 — CID 70653912

IUPAC2-ethyl-6-(iodomethoxy)benzamide
SMILESCCc1cccc(OCI)c1C(N)=O
InChIInChI=1S/C10H12INO2/c1-2-7-4-3-5-8(14-6-11)9(7)10(12)13/h3-5H,2,6H2,1H3,(H2,12,13)
InChIKeyHIFGXKMVPMNKST-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.12
Rot. Bonds4

About 2-ethyl-6-(iodomethoxy)benzamide

2-ethyl-6-(iodomethoxy)benzamide (PubChem CID 70653912) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is 2-ethyl-6-(iodomethoxy)benzamide.

Molecular Properties

Compound Name2-ethyl-6-(iodomethoxy)benzamide
PubChem CID70653912
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Name2-ethyl-6-(iodomethoxy)benzamide
SMILESCCc1cccc(OCI)c1C(N)=O
InChIInChI=1S/C10H12INO2/c1-2-7-4-3-5-8(14-6-11)9(7)10(12)13/h3-5H,2,6H2,1H3,(H2,12,13)
InChIKeyHIFGXKMVPMNKST-UHFFFAOYSA-N
XLogP2.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxy-6-ethylphenyl)ethanone
CID 147544535
2,3-diethylbenzamide;hydrofluoride
CID 175203586
4-(2-ethylphenoxy)butanamide
CID 82040636
1-(2,6-diethylphenyl)ethanone
CID 14939611
2-phenyl-6-propoxybenzamide
CID 57275841
2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide
CID 79395775
2-(fluoromethoxy)-6-[(4-methoxyphenyl)methoxymethyl]benzamide
CID 90852782
2-amino-3-ethoxybenzamide
CID 70121071
2-(2,3-dimethylphenoxy)-3-ethylbenzamide
CID 69236548
2-(2-amino-2-ethylbutoxy)-6-bromobenzamide
CID 114887735
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide
CID 86790985
3-ethyl-2-fluorobenzenecarboperoxoic acid
CID 22459800

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(iodomethoxy)benzamide?
The IUPAC name of 2-ethyl-6-(iodomethoxy)benzamide (CID 70653912) is 2-ethyl-6-(iodomethoxy)benzamide.
What is the SMILES notation for 2-ethyl-6-(iodomethoxy)benzamide?
The canonical SMILES for 2-ethyl-6-(iodomethoxy)benzamide is CCc1cccc(OCI)c1C(N)=O.
What is the InChIKey of 2-ethyl-6-(iodomethoxy)benzamide?
The InChIKey is HIFGXKMVPMNKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2/c1-2-7-4-3-5-8(14-6-11)9(7)10(12)13/h3-5H,2,6H2,1H3,(H2,12,13).
What are the key properties of 2-ethyl-6-(iodomethoxy)benzamide?
2-ethyl-6-(iodomethoxy)benzamide has a molecular weight of 305.12 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(iodomethoxy)benzamide is sourced from PubChem (CID 70653912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).