2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide

C16H14INO4 — CID 7894440

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C16H14INO4/c1-10-6-11(17)2-4-13(10)18-16(19)8-20-12-3-5-14-15(7-12)22-9-21-14/h2-7H,8-9H2,1H3,(H,18,19)
InChIKeyBXTYFPLORMDNPC-UHFFFAOYSA-N
MW411.20 g/mol
LogP3.35
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide

2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 7894440) has the molecular formula C16H14INO4 and a molecular weight of 411.20 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID7894440
Molecular FormulaC16H14INO4
Molecular Weight411.20 g/mol
Exact Mass411.00
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C16H14INO4/c1-10-6-11(17)2-4-13(10)18-16(19)8-20-12-3-5-14-15(7-12)22-9-21-14/h2-7H,8-9H2,1H3,(H,18,19)
InChIKeyBXTYFPLORMDNPC-UHFFFAOYSA-N
XLogP3.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.20
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7894417
2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 17342102
2-(3,5-dichlorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide
CID 18281064
N-(1,3-benzodioxol-5-yl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516432
ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate
CID 17310220
2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzamide
CID 6493270
N-(4-amino-2-methylphenyl)-2-(4-iodophenoxy)acetamide
CID 43144731
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921
2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9137727
N-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865526
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 112975159
2-(1,3-benzodioxol-5-yloxy)-N-(5-chloro-2-cyanophenyl)acetamide
CID 7894399

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide (CID 7894440) is 2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide is Cc1cc(I)ccc1NC(=O)COc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is BXTYFPLORMDNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO4/c1-10-6-11(17)2-4-13(10)18-16(19)8-20-12-3-5-14-15(7-12)22-9-21-14/h2-7H,8-9H2,1H3,(H,18,19).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 411.20 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 7894440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).