methyl 2-(3-iodoanilino)acetate

C9H10INO2 — CID 19829858

IUPACmethyl 2-(3-iodoanilino)acetate
SMILESCOC(=O)CNc1cccc(I)c1
InChIInChI=1S/C9H10INO2/c1-13-9(12)6-11-8-4-2-3-7(10)5-8/h2-5,11H,6H2,1H3
InChIKeyAKCIMRLLMVSUNN-UHFFFAOYSA-N
MW291.09 g/mol
LogP1.88
Rot. Bonds3

About methyl 2-(3-iodoanilino)acetate

methyl 2-(3-iodoanilino)acetate (PubChem CID 19829858) has the molecular formula C9H10INO2 and a molecular weight of 291.09 g/mol. Its IUPAC name is methyl 2-(3-iodoanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-iodoanilino)acetate
PubChem CID19829858
Molecular FormulaC9H10INO2
Molecular Weight291.09 g/mol
Exact Mass290.98
IUPAC Namemethyl 2-(3-iodoanilino)acetate
SMILESCOC(=O)CNc1cccc(I)c1
InChIInChI=1S/C9H10INO2/c1-13-9(12)6-11-8-4-2-3-7(10)5-8/h2-5,11H,6H2,1H3
InChIKeyAKCIMRLLMVSUNN-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate
CID 22080521
2-(3-iodoanilino)-N-propan-2-ylacetamide
CID 28829975
methyl 2-(3-propan-2-ylanilino)acetate
CID 20824069
methyl 2-(3-propan-2-yloxyanilino)acetate
CID 19829935
2-(3-iodoanilino)-N-phenylacetamide
CID 28829964
methyl 2-hydroxy-3-(3-iodoanilino)-2-methylpropanoate
CID 104643876
2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide
CID 28879230
1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone
CID 110823700
2-anilino-N-(3-iodophenyl)acetamide
CID 47107105
N-cyclopropyl-2-(3-iodoanilino)acetamide
CID 28829963
methyl 2-(3-iodoanilino)-2-oxoacetate
CID 112683075
methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate
CID 52704348

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-iodoanilino)acetate?
The IUPAC name of methyl 2-(3-iodoanilino)acetate (CID 19829858) is methyl 2-(3-iodoanilino)acetate.
What is the SMILES notation for methyl 2-(3-iodoanilino)acetate?
The canonical SMILES for methyl 2-(3-iodoanilino)acetate is COC(=O)CNc1cccc(I)c1.
What is the InChIKey of methyl 2-(3-iodoanilino)acetate?
The InChIKey is AKCIMRLLMVSUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO2/c1-13-9(12)6-11-8-4-2-3-7(10)5-8/h2-5,11H,6H2,1H3.
What are the key properties of methyl 2-(3-iodoanilino)acetate?
methyl 2-(3-iodoanilino)acetate has a molecular weight of 291.09 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-iodoanilino)acetate is sourced from PubChem (CID 19829858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).