2-chloro-N-(iodomethyl)acetamide

C3H5ClINO — CID 89347854

IUPAC2-chloro-N-(iodomethyl)acetamide
SMILESO=C(CCl)NCI
InChIInChI=1S/C3H5ClINO/c4-1-3(7)6-2-5/h1-2H2,(H,6,7)
InChIKeyIIFVWYDHBFJJOC-UHFFFAOYSA-N
MW233.44 g/mol
LogP0.73
Rot. Bonds2

About 2-chloro-N-(iodomethyl)acetamide

2-chloro-N-(iodomethyl)acetamide (PubChem CID 89347854) has the molecular formula C3H5ClINO and a molecular weight of 233.44 g/mol. Its IUPAC name is 2-chloro-N-(iodomethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(iodomethyl)acetamide
PubChem CID89347854
Molecular FormulaC3H5ClINO
Molecular Weight233.44 g/mol
Exact Mass232.91
IUPAC Name2-chloro-N-(iodomethyl)acetamide
SMILESO=C(CCl)NCI
InChIInChI=1S/C3H5ClINO/c4-1-3(7)6-2-5/h1-2H2,(H,6,7)
InChIKeyIIFVWYDHBFJJOC-UHFFFAOYSA-N
XLogP0.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.44
LogP ≤ 50.73
H-Bond Donors ≤ 51
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

2-bromo-N-(iodomethyl)acetamide
CID 89129091
N-(2-bromoethyl)-2-chloroacetamide
CID 71407386
2-chloro-N-ethylacetamide;hydrochloride
CID 141251564
2-[(2-chloroacetyl)amino]acetamide
CID 28605345
N-[(carbamoylamino)methyl]-2-chloroacetamide
CID 175324438
2-chloro-N-(2,2-difluoroethyl)acetamide
CID 115349396
2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103881683
2-chloro-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65105534
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
CID 61251740
2-chloro-N-dotriacontylacetamide
CID 163206961
N-(6-aminohexyl)-2-chloroacetamide
CID 14484874
N-[7-[(2-chloroacetyl)amino]heptyl]propanamide
CID 163838006

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(iodomethyl)acetamide?
The IUPAC name of 2-chloro-N-(iodomethyl)acetamide (CID 89347854) is 2-chloro-N-(iodomethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(iodomethyl)acetamide?
The canonical SMILES for 2-chloro-N-(iodomethyl)acetamide is O=C(CCl)NCI.
What is the InChIKey of 2-chloro-N-(iodomethyl)acetamide?
The InChIKey is IIFVWYDHBFJJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClINO/c4-1-3(7)6-2-5/h1-2H2,(H,6,7).
What are the key properties of 2-chloro-N-(iodomethyl)acetamide?
2-chloro-N-(iodomethyl)acetamide has a molecular weight of 233.44 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(iodomethyl)acetamide is sourced from PubChem (CID 89347854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).