N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride

C10H14ClIN2O2 — CID 119384507

IUPACN-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride
SMILESCl.NCCNC(=O)COc1ccc(I)cc1
InChIInChI=1S/C10H13IN2O2.ClH/c11-8-1-3-9(4-2-8)15-7-10(14)13-6-5-12;/h1-4H,5-7,12H2,(H,13,14);1H
InChIKeyDKBBQPSTUVWBOP-UHFFFAOYSA-N
MW356.59 g/mol
LogP1.17
Rot. Bonds5

About N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride

N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride (PubChem CID 119384507) has the molecular formula C10H14ClIN2O2 and a molecular weight of 356.59 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride
PubChem CID119384507
Molecular FormulaC10H14ClIN2O2
Molecular Weight356.59 g/mol
Exact Mass355.98
IUPAC NameN-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride
SMILESCl.NCCNC(=O)COc1ccc(I)cc1
InChIInChI=1S/C10H13IN2O2.ClH/c11-8-1-3-9(4-2-8)15-7-10(14)13-6-5-12;/h1-4H,5-7,12H2,(H,13,14);1H
InChIKeyDKBBQPSTUVWBOP-UHFFFAOYSA-N
XLogP1.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.59
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(4-bromophenoxy)acetamide;hydrochloride
CID 119382433
N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide
CID 78798070
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
N-(2-aminoethyl)-2-(4-benzylphenoxy)acetamide
CID 62275392
N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
CID 119382882
N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide
CID 102457395
3-[[2-(4-iodophenoxy)acetyl]amino]-2-methylpropanoic acid
CID 119237353
N-(2-aminoethyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 61207330
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354
methyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate
CID 47102294
N-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide
CID 39163292
N-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide
CID 9076404

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride (CID 119384507) is N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride is Cl.NCCNC(=O)COc1ccc(I)cc1.
What is the InChIKey of N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride?
The InChIKey is DKBBQPSTUVWBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O2.ClH/c11-8-1-3-9(4-2-8)15-7-10(14)13-6-5-12;/h1-4H,5-7,12H2,(H,13,14);1H.
What are the key properties of N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride?
N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride has a molecular weight of 356.59 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119384507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).