2-(3-iodophenyl)-N-methylacetamide

C9H10INO — CID 130614224

IUPAC2-(3-iodophenyl)-N-methylacetamide
SMILESCNC(=O)Cc1cccc(I)c1
InChIInChI=1S/C9H10INO/c1-11-9(12)6-7-3-2-4-8(10)5-7/h2-5H,6H2,1H3,(H,11,12)
InChIKeyZDUMHOIIFKARQC-UHFFFAOYSA-N
MW275.09 g/mol
LogP1.58
Rot. Bonds2

About 2-(3-iodophenyl)-N-methylacetamide

2-(3-iodophenyl)-N-methylacetamide (PubChem CID 130614224) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is 2-(3-iodophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-iodophenyl)-N-methylacetamide
PubChem CID130614224
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC Name2-(3-iodophenyl)-N-methylacetamide
SMILESCNC(=O)Cc1cccc(I)c1
InChIInChI=1S/C9H10INO/c1-11-9(12)6-7-3-2-4-8(10)5-7/h2-5H,6H2,1H3,(H,11,12)
InChIKeyZDUMHOIIFKARQC-UHFFFAOYSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 51.58
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

2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide
CID 120830379
N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide
CID 120505769
2-[(3-iodophenyl)methylamino]-N-methylpropanamide
CID 20823789
3-(3-iodophenyl)-2-oxopropanoic acid
CID 127018945
4-[[2-(3-iodophenyl)acetyl]amino]-4-methylpentanoic acid
CID 119357254
N-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide
CID 97227819
N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride
CID 120652816
N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide
CID 119475463
2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide
CID 166410090
propyl 2-(3-iodophenyl)acetate
CID 139697967
N-(4,6-dichloropyrimidin-5-yl)-2-(3-iodophenyl)acetamide
CID 89178764
2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide
CID 54207621

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-N-methylacetamide?
The IUPAC name of 2-(3-iodophenyl)-N-methylacetamide (CID 130614224) is 2-(3-iodophenyl)-N-methylacetamide.
What is the SMILES notation for 2-(3-iodophenyl)-N-methylacetamide?
The canonical SMILES for 2-(3-iodophenyl)-N-methylacetamide is CNC(=O)Cc1cccc(I)c1.
What is the InChIKey of 2-(3-iodophenyl)-N-methylacetamide?
The InChIKey is ZDUMHOIIFKARQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO/c1-11-9(12)6-7-3-2-4-8(10)5-7/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of 2-(3-iodophenyl)-N-methylacetamide?
2-(3-iodophenyl)-N-methylacetamide has a molecular weight of 275.09 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-N-methylacetamide is sourced from PubChem (CID 130614224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).