2-iodo-N-(iodomethyl)-N-methylacetamide

C4H7I2NO — CID 148631357

IUPAC2-iodo-N-(iodomethyl)-N-methylacetamide
SMILESCN(CI)C(=O)CI
InChIInChI=1S/C4H7I2NO/c1-7(3-6)4(8)2-5/h2-3H2,1H3
InChIKeyNIFBQSOYIHZRKP-UHFFFAOYSA-N
MW338.91 g/mol
LogP1.27
Rot. Bonds2

About 2-iodo-N-(iodomethyl)-N-methylacetamide

2-iodo-N-(iodomethyl)-N-methylacetamide (PubChem CID 148631357) has the molecular formula C4H7I2NO and a molecular weight of 338.91 g/mol. Its IUPAC name is 2-iodo-N-(iodomethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-iodo-N-(iodomethyl)-N-methylacetamide
PubChem CID148631357
Molecular FormulaC4H7I2NO
Molecular Weight338.91 g/mol
Exact Mass338.86
IUPAC Name2-iodo-N-(iodomethyl)-N-methylacetamide
SMILESCN(CI)C(=O)CI
InChIInChI=1S/C4H7I2NO/c1-7(3-6)4(8)2-5/h2-3H2,1H3
InChIKeyNIFBQSOYIHZRKP-UHFFFAOYSA-N
XLogP1.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.91
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(iodomethyl)-N,2-dimethylprop-2-enamide
CID 146497620
2-iodo-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 64786622
S-methyl 2-iodoethanethioate
CID 15145875
2-(iodomethyl)-N,N-dimethylprop-2-enamide
CID 11843066
N-bromo-N-methylpropanamide
CID 123781354
3-iodopropyl(methyl)carbamic acid
CID 21077788
N-(aminomethyl)-N-methylbutanamide
CID 155070465
2-iodo-N-(4-methylhexan-2-yl)-N-propan-2-ylacetamide
CID 166800442
N,N-dimethylbutanamide;hydrochloride
CID 87498306
ethane;N-ethyl-N-methyl-2-methylsulfanylacetamide
CID 142224349
1,3-bis(hydroxymethyl)-1,3-dimethylurea
CID 10374592
N,N'-dihydroxy-N,N'-dimethylpropanediamide
CID 20659482

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(iodomethyl)-N-methylacetamide?
The IUPAC name of 2-iodo-N-(iodomethyl)-N-methylacetamide (CID 148631357) is 2-iodo-N-(iodomethyl)-N-methylacetamide.
What is the SMILES notation for 2-iodo-N-(iodomethyl)-N-methylacetamide?
The canonical SMILES for 2-iodo-N-(iodomethyl)-N-methylacetamide is CN(CI)C(=O)CI.
What is the InChIKey of 2-iodo-N-(iodomethyl)-N-methylacetamide?
The InChIKey is NIFBQSOYIHZRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7I2NO/c1-7(3-6)4(8)2-5/h2-3H2,1H3.
What are the key properties of 2-iodo-N-(iodomethyl)-N-methylacetamide?
2-iodo-N-(iodomethyl)-N-methylacetamide has a molecular weight of 338.91 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(iodomethyl)-N-methylacetamide is sourced from PubChem (CID 148631357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).