N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide

C17H16INO2 — CID 2627640

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H16INO2/c18-14-5-8-16(9-6-14)21-11-17(20)19-15-7-4-12-2-1-3-13(12)10-15/h4-10H,1-3,11H2,(H,19,20)
InChIKeyPXTPHFQTQFWVDD-UHFFFAOYSA-N
MW393.22 g/mol
LogP3.80
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide (PubChem CID 2627640) has the molecular formula C17H16INO2 and a molecular weight of 393.22 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide
PubChem CID2627640
Molecular FormulaC17H16INO2
Molecular Weight393.22 g/mol
Exact Mass393.02
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H16INO2/c18-14-5-8-16(9-6-14)21-11-17(20)19-15-7-4-12-2-1-3-13(12)10-15/h4-10H,1-3,11H2,(H,19,20)
InChIKeyPXTPHFQTQFWVDD-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 2710612
2-(3-acetylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2639907
N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 112978184
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 2709578
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-hydroxyphenoxy)acetamide
CID 78780058
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-fluorophenyl)acetamide
CID 2611402
N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 112978228
2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
CID 1288987
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid
CID 650247
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9141062
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089
dimethyl 5-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711603

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide (CID 2627640) is N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide is O=C(COc1ccc(I)cc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide?
The InChIKey is PXTPHFQTQFWVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INO2/c18-14-5-8-16(9-6-14)21-11-17(20)19-15-7-4-12-2-1-3-13(12)10-15/h4-10H,1-3,11H2,(H,19,20).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide has a molecular weight of 393.22 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide is sourced from PubChem (CID 2627640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).