2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide

C12H15IN2O — CID 116674715

IUPAC2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1I)C1CNC1
InChIInChI=1S/C12H15IN2O/c1-8(9-6-14-7-9)12(16)15-11-5-3-2-4-10(11)13/h2-5,8-9,14H,6-7H2,1H3,(H,15,16)
InChIKeyUIOHJGJZSNOYFM-UHFFFAOYSA-N
MW330.17 g/mol
LogP2.09
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide

2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide (PubChem CID 116674715) has the molecular formula C12H15IN2O and a molecular weight of 330.17 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide
PubChem CID116674715
Molecular FormulaC12H15IN2O
Molecular Weight330.17 g/mol
Exact Mass330.02
IUPAC Name2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1I)C1CNC1
InChIInChI=1S/C12H15IN2O/c1-8(9-6-14-7-9)12(16)15-11-5-3-2-4-10(11)13/h2-5,8-9,14H,6-7H2,1H3,(H,15,16)
InChIKeyUIOHJGJZSNOYFM-UHFFFAOYSA-N
XLogP2.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 52.09
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-(azetidin-3-yl)-N-naphthalen-1-ylpropanamide
CID 116674289
2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 116674736
2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 116674418
2-(azetidin-3-yl)-N-(2-propoxyphenyl)propanamide
CID 116675260
2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide
CID 116675538
(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935
N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 116675423
(2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide
CID 38886412
methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate
CID 116675796
4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide
CID 116675477
N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide
CID 116675124

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide (CID 116674715) is 2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide is CC(C(=O)Nc1ccccc1I)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide?
The InChIKey is UIOHJGJZSNOYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O/c1-8(9-6-14-7-9)12(16)15-11-5-3-2-4-10(11)13/h2-5,8-9,14H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide?
2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide has a molecular weight of 330.17 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide is sourced from PubChem (CID 116674715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).