N-(3-iodo-2,6-dimethylphenyl)acetamide

C10H12INO — CID 4608715

IUPACN-(3-iodo-2,6-dimethylphenyl)acetamide
SMILESCC(=O)Nc1c(C)ccc(I)c1C
InChIInChI=1S/C10H12INO/c1-6-4-5-9(11)7(2)10(6)12-8(3)13/h4-5H,1-3H3,(H,12,13)
InChIKeyKFEJFGWXSVLCQA-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.87
Rot. Bonds1

About N-(3-iodo-2,6-dimethylphenyl)acetamide

N-(3-iodo-2,6-dimethylphenyl)acetamide (PubChem CID 4608715) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is N-(3-iodo-2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-iodo-2,6-dimethylphenyl)acetamide
PubChem CID4608715
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC NameN-(3-iodo-2,6-dimethylphenyl)acetamide
SMILESCC(=O)Nc1c(C)ccc(I)c1C
InChIInChI=1S/C10H12INO/c1-6-4-5-9(11)7(2)10(6)12-8(3)13/h4-5H,1-3H3,(H,12,13)
InChIKeyKFEJFGWXSVLCQA-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-isocyanato-2,6-dimethylphenyl)acetamide
CID 169353390
N-(2-fluoro-4-iodo-3-methylphenyl)acetamide
CID 166153622
(3-acetamido-2,4-dimethylphenyl)methyl acetate
CID 141195730
(3-acetamido-6-iodo-2,4-dimethylphenyl)methyl acetate
CID 59731922
N-[3-(2,2-dimethoxyethoxy)-2,6-dimethylphenyl]acetamide
CID 170638035
N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide
CID 168638082
N-(3-hydrazinyl-2,4,6-trimethylphenyl)acetamide
CID 54220415
N-(2,4-dimethylthiophen-3-yl)acetamide
CID 71412387
N-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide
CID 167388987
3,5-diacetamido-2,4-diiodo-6-methylbenzoic acid
CID 138481833
(3-amino-2,6-dimethylphenyl)urea
CID 19820899
N-(6-chloro-2-fluoro-3-methylphenyl)acetamide
CID 67957585

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-2,6-dimethylphenyl)acetamide?
The IUPAC name of N-(3-iodo-2,6-dimethylphenyl)acetamide (CID 4608715) is N-(3-iodo-2,6-dimethylphenyl)acetamide.
What is the SMILES notation for N-(3-iodo-2,6-dimethylphenyl)acetamide?
The canonical SMILES for N-(3-iodo-2,6-dimethylphenyl)acetamide is CC(=O)Nc1c(C)ccc(I)c1C.
What is the InChIKey of N-(3-iodo-2,6-dimethylphenyl)acetamide?
The InChIKey is KFEJFGWXSVLCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO/c1-6-4-5-9(11)7(2)10(6)12-8(3)13/h4-5H,1-3H3,(H,12,13).
What are the key properties of N-(3-iodo-2,6-dimethylphenyl)acetamide?
N-(3-iodo-2,6-dimethylphenyl)acetamide has a molecular weight of 289.12 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 4608715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).