2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide

C20H17IN2O — CID 24562392

IUPAC2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide
SMILESO=C(CNc1ccc2c3c(cccc13)CC2)Nc1ccccc1I
InChIInChI=1S/C20H17IN2O/c21-16-6-1-2-7-18(16)23-19(24)12-22-17-11-10-14-9-8-13-4-3-5-15(17)20(13)14/h1-7,10-11,22H,8-9,12H2,(H,23,24)
InChIKeyDXBCKVMMBBJNFC-UHFFFAOYSA-N
MW428.27 g/mol
LogP4.59
Rot. Bonds4

About 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide

2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide (PubChem CID 24562392) has the molecular formula C20H17IN2O and a molecular weight of 428.27 g/mol. Its IUPAC name is 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide
PubChem CID24562392
Molecular FormulaC20H17IN2O
Molecular Weight428.27 g/mol
Exact Mass428.04
IUPAC Name2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide
SMILESO=C(CNc1ccc2c3c(cccc13)CC2)Nc1ccccc1I
InChIInChI=1S/C20H17IN2O/c21-16-6-1-2-7-18(16)23-19(24)12-22-17-11-10-14-9-8-13-4-3-5-15(17)20(13)14/h1-7,10-11,22H,8-9,12H2,(H,23,24)
InChIKeyDXBCKVMMBBJNFC-UHFFFAOYSA-N
XLogP4.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.27
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-methoxyphenyl)acetamide
CID 35811813
N-cyclopropyl-2-[[2-(1,2-dihydroacenaphthylen-5-ylamino)acetyl]amino]benzamide
CID 35812185
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide
CID 18144257
2-(1,2-dihydroacenaphthylen-5-ylamino)acetate
CID 7312561
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 112804434
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide
CID 16576546
2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
CID 800367
7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide
CID 119697802
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 34573149
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 55470342
N-(1,2-dihydroacenaphthylen-5-yl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55678310
2-(3-fluoroanilino)-N-(2-iodophenyl)acetamide
CID 26506350

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide (CID 24562392) is 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide is O=C(CNc1ccc2c3c(cccc13)CC2)Nc1ccccc1I.
What is the InChIKey of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide?
The InChIKey is DXBCKVMMBBJNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17IN2O/c21-16-6-1-2-7-18(16)23-19(24)12-22-17-11-10-14-9-8-13-4-3-5-15(17)20(13)14/h1-7,10-11,22H,8-9,12H2,(H,23,24).
What are the key properties of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide?
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide has a molecular weight of 428.27 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 24562392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).