2-(azocan-1-ium-1-yl)-N-(2-iodophenyl)acetamide

C15H22IN2O+ — CID 2655331

IUPAC2-(azocan-1-ium-1-yl)-N-(2-iodophenyl)acetamide
SMILESO=C(C[NH+]1CCCCCCC1)Nc1ccccc1I
InChIInChI=1S/C15H21IN2O/c16-13-8-4-5-9-14(13)17-15(19)12-18-10-6-2-1-3-7-11-18/h4-5,8-9H,1-3,6-7,10-12H2,(H,17,19)/p+1
InChIKeyYZHPONPCQIEZEL-UHFFFAOYSA-O
MW373.26 g/mol
LogP2.08
Rot. Bonds3

About 2-(azocan-1-ium-1-yl)-N-(2-iodophenyl)acetamide

2-(azocan-1-ium-1-yl)-N-(2-iodophenyl)acetamide (PubChem CID 2655331) has the molecular formula C15H22IN2O+ and a molecular weight of 373.26 g/mol. Its IUPAC name is 2-(azocan-1-ium-1-yl)-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(azocan-1-ium-1-yl)-N-(2-iodophenyl)acetamide
PubChem CID2655331
Molecular FormulaC15H22IN2O+
Molecular Weight373.26 g/mol
Exact Mass373.08
IUPAC Name2-(azocan-1-ium-1-yl)-N-(2-iodophenyl)acetamide
SMILESO=C(C[NH+]1CCCCCCC1)Nc1ccccc1I
InChIInChI=1S/C15H21IN2O/c16-13-8-4-5-9-14(13)17-15(19)12-18-10-6-2-1-3-7-11-18/h4-5,8-9H,1-3,6-7,10-12H2,(H,17,19)/p+1
InChIKeyYZHPONPCQIEZEL-UHFFFAOYSA-O
XLogP2.08
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894869
2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-iodophenyl)acetamide
CID 8930854
N-(2-iodophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide
CID 2657029
N-(2-nitrophenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7479162
N-(2-chloro-3-pyridinyl)-2-piperidin-1-ium-1-ylacetamide
CID 7784525
2-[4-[2-(azocan-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 8679883
2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 8583632
2-cyclobutyl-N-(2-iodophenyl)acetamide
CID 103706273
N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide
CID 6934505
4-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 8583822
2-acetamido-N-(2-iodophenyl)acetamide
CID 60635742
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepane-1,4-diium-1-yl]-N-(2-methylphenyl)acetamide
CID 9130970

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-ium-1-yl)-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-(azocan-1-ium-1-yl)-N-(2-iodophenyl)acetamide (CID 2655331) is 2-(azocan-1-ium-1-yl)-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-(azocan-1-ium-1-yl)-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-(azocan-1-ium-1-yl)-N-(2-iodophenyl)acetamide is O=C(C[NH+]1CCCCCCC1)Nc1ccccc1I.
What is the InChIKey of 2-(azocan-1-ium-1-yl)-N-(2-iodophenyl)acetamide?
The InChIKey is YZHPONPCQIEZEL-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21IN2O/c16-13-8-4-5-9-14(13)17-15(19)12-18-10-6-2-1-3-7-11-18/h4-5,8-9H,1-3,6-7,10-12H2,(H,17,19)/p+1.
What are the key properties of 2-(azocan-1-ium-1-yl)-N-(2-iodophenyl)acetamide?
2-(azocan-1-ium-1-yl)-N-(2-iodophenyl)acetamide has a molecular weight of 373.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-ium-1-yl)-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 2655331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).