[2-(2-acetamidoethyl)phenyl]-(4-chlorophenyl)iodanium

C16H16ClINO+ — CID 62707379

IUPAC[2-(2-acetamidoethyl)phenyl]-(4-chlorophenyl)iodanium
SMILESCC(=O)NCCc1ccccc1[I+]c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClINO/c1-12(20)19-11-10-13-4-2-3-5-16(13)18-15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3/p+1
InChIKeyZRWSRUXECRTQEN-UHFFFAOYSA-O
MW400.67 g/mol
LogP0.15
Rot. Bonds5

About [2-(2-acetamidoethyl)phenyl]-(4-chlorophenyl)iodanium

[2-(2-acetamidoethyl)phenyl]-(4-chlorophenyl)iodanium (PubChem CID 62707379) has the molecular formula C16H16ClINO+ and a molecular weight of 400.67 g/mol. Its IUPAC name is [2-(2-acetamidoethyl)phenyl]-(4-chlorophenyl)iodanium.

Molecular Properties

Compound Name[2-(2-acetamidoethyl)phenyl]-(4-chlorophenyl)iodanium
PubChem CID62707379
Molecular FormulaC16H16ClINO+
Molecular Weight400.67 g/mol
Exact Mass400.00
IUPAC Name[2-(2-acetamidoethyl)phenyl]-(4-chlorophenyl)iodanium
SMILESCC(=O)NCCc1ccccc1[I+]c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClINO/c1-12(20)19-11-10-13-4-2-3-5-16(13)18-15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3/p+1
InChIKeyZRWSRUXECRTQEN-UHFFFAOYSA-O
XLogP0.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.67
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
[2-[2-(diethylcarbamoylamino)ethyl]phenyl]-(4-methoxyphenyl)iodanium
CID 62707549
N-[2-[2-(2-fluorophenyl)ethylamino]ethyl]acetamide
CID 103604204
N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119093580
N-[2-(5-chloro-2-sulfamoylphenyl)ethyl]acetamide
CID 118162125
2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide
CID 166408958
N-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide
CID 10740075
N-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide
CID 71755478
4-chloro-N-[2-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 18425385
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide
CID 110609861

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetamidoethyl)phenyl]-(4-chlorophenyl)iodanium?
The IUPAC name of [2-(2-acetamidoethyl)phenyl]-(4-chlorophenyl)iodanium (CID 62707379) is [2-(2-acetamidoethyl)phenyl]-(4-chlorophenyl)iodanium.
What is the SMILES notation for [2-(2-acetamidoethyl)phenyl]-(4-chlorophenyl)iodanium?
The canonical SMILES for [2-(2-acetamidoethyl)phenyl]-(4-chlorophenyl)iodanium is CC(=O)NCCc1ccccc1[I+]c1ccc(Cl)cc1.
What is the InChIKey of [2-(2-acetamidoethyl)phenyl]-(4-chlorophenyl)iodanium?
The InChIKey is ZRWSRUXECRTQEN-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H15ClINO/c1-12(20)19-11-10-13-4-2-3-5-16(13)18-15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3/p+1.
What are the key properties of [2-(2-acetamidoethyl)phenyl]-(4-chlorophenyl)iodanium?
[2-(2-acetamidoethyl)phenyl]-(4-chlorophenyl)iodanium has a molecular weight of 400.67 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetamidoethyl)phenyl]-(4-chlorophenyl)iodanium is sourced from PubChem (CID 62707379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).