3-(3-iodophenoxy)-2-methylpropanamide

C10H12INO2 — CID 61400057

IUPAC3-(3-iodophenoxy)-2-methylpropanamide
SMILESCC(COc1cccc(I)c1)C(N)=O
InChIInChI=1S/C10H12INO2/c1-7(10(12)13)6-14-9-4-2-3-8(11)5-9/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyCYANFTKLQJGTFM-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.79
Rot. Bonds4

About 3-(3-iodophenoxy)-2-methylpropanamide

3-(3-iodophenoxy)-2-methylpropanamide (PubChem CID 61400057) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is 3-(3-iodophenoxy)-2-methylpropanamide.

Molecular Properties

Compound Name3-(3-iodophenoxy)-2-methylpropanamide
PubChem CID61400057
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Name3-(3-iodophenoxy)-2-methylpropanamide
SMILESCC(COc1cccc(I)c1)C(N)=O
InChIInChI=1S/C10H12INO2/c1-7(10(12)13)6-14-9-4-2-3-8(11)5-9/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyCYANFTKLQJGTFM-UHFFFAOYSA-N
XLogP1.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-iodophenoxy)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-cyanophenoxy)-2-methylpropanamide
CID 43312194
3-(3-amino-2-methyl-3-sulfanylidenepropoxy)benzamide
CID 82147616
methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate
CID 43537890
3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
CID 43311904
3-[4-(aminomethyl)phenoxy]-2-methylpropanamide
CID 43311802
(3-iodophenyl) (2R)-2-hydroxypropanoate
CID 130670103
3-(7-hydroxynaphthalen-2-yl)oxy-2-methylpropanamide
CID 43312351
1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 14099143
4-(3-iodophenoxy)butan-2-one
CID 62031790
3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide
CID 63364284
3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62486584
3-(3-iodophenoxy)-N-propan-2-ylpropanamide
CID 55210430

Frequently Asked Questions

What is the IUPAC name of 3-(3-iodophenoxy)-2-methylpropanamide?
The IUPAC name of 3-(3-iodophenoxy)-2-methylpropanamide (CID 61400057) is 3-(3-iodophenoxy)-2-methylpropanamide.
What is the SMILES notation for 3-(3-iodophenoxy)-2-methylpropanamide?
The canonical SMILES for 3-(3-iodophenoxy)-2-methylpropanamide is CC(COc1cccc(I)c1)C(N)=O.
What is the InChIKey of 3-(3-iodophenoxy)-2-methylpropanamide?
The InChIKey is CYANFTKLQJGTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2/c1-7(10(12)13)6-14-9-4-2-3-8(11)5-9/h2-5,7H,6H2,1H3,(H2,12,13).
What are the key properties of 3-(3-iodophenoxy)-2-methylpropanamide?
3-(3-iodophenoxy)-2-methylpropanamide has a molecular weight of 305.12 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodophenoxy)-2-methylpropanamide is sourced from PubChem (CID 61400057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).