3-amino-N-(2-iodophenyl)-2-methoxypropanamide

C10H13IN2O2 — CID 106111227

IUPAC3-amino-N-(2-iodophenyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1ccccc1I
InChIInChI=1S/C10H13IN2O2/c1-15-9(6-12)10(14)13-8-5-3-2-4-7(8)11/h2-5,9H,6,12H2,1H3,(H,13,14)
InChIKeyIUEYYCIYGAEPQD-UHFFFAOYSA-N
MW320.13 g/mol
LogP1.20
Rot. Bonds4

About 3-amino-N-(2-iodophenyl)-2-methoxypropanamide

3-amino-N-(2-iodophenyl)-2-methoxypropanamide (PubChem CID 106111227) has the molecular formula C10H13IN2O2 and a molecular weight of 320.13 g/mol. Its IUPAC name is 3-amino-N-(2-iodophenyl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(2-iodophenyl)-2-methoxypropanamide
PubChem CID106111227
Molecular FormulaC10H13IN2O2
Molecular Weight320.13 g/mol
Exact Mass320.00
IUPAC Name3-amino-N-(2-iodophenyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1ccccc1I
InChIInChI=1S/C10H13IN2O2/c1-15-9(6-12)10(14)13-8-5-3-2-4-7(8)11/h2-5,9H,6,12H2,1H3,(H,13,14)
InChIKeyIUEYYCIYGAEPQD-UHFFFAOYSA-N
XLogP1.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide
CID 106111632
(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935
2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide
CID 106111162
3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 106111464
3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide
CID 106111180
3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide
CID 106111620
2-methylpropyl N-(2-iodophenyl)carbamate
CID 546432
3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide
CID 106113948
3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide
CID 106111576
(2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide
CID 38886412
2-[2-(2-methoxybutanoylamino)phenyl]acetic acid
CID 119353171
3-amino-2-methoxy-N-(1-phenylethyl)propanamide
CID 106110983

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-iodophenyl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(2-iodophenyl)-2-methoxypropanamide (CID 106111227) is 3-amino-N-(2-iodophenyl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(2-iodophenyl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(2-iodophenyl)-2-methoxypropanamide is COC(CN)C(=O)Nc1ccccc1I.
What is the InChIKey of 3-amino-N-(2-iodophenyl)-2-methoxypropanamide?
The InChIKey is IUEYYCIYGAEPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O2/c1-15-9(6-12)10(14)13-8-5-3-2-4-7(8)11/h2-5,9H,6,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-N-(2-iodophenyl)-2-methoxypropanamide?
3-amino-N-(2-iodophenyl)-2-methoxypropanamide has a molecular weight of 320.13 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-iodophenyl)-2-methoxypropanamide is sourced from PubChem (CID 106111227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).