2-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]-N-methylacetamide

C13H17IN2O — CID 124721311

IUPAC2-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC[C@H]1c1ccccc1I
InChIInChI=1S/C13H17IN2O/c1-15-13(17)9-16-8-4-7-12(16)10-5-2-3-6-11(10)14/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyABHNNXAXHSDQMA-LBPRGKRZSA-N
MW344.20 g/mol
LogP2.17
Rot. Bonds3

About 2-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]-N-methylacetamide

2-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 124721311) has the molecular formula C13H17IN2O and a molecular weight of 344.20 g/mol. Its IUPAC name is 2-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]-N-methylacetamide
PubChem CID124721311
Molecular FormulaC13H17IN2O
Molecular Weight344.20 g/mol
Exact Mass344.04
IUPAC Name2-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC[C@H]1c1ccccc1I
InChIInChI=1S/C13H17IN2O/c1-15-13(17)9-16-8-4-7-12(16)10-5-2-3-6-11(10)14/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyABHNNXAXHSDQMA-LBPRGKRZSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 60505498
3-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]propan-1-ol
CID 95768844
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472
2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide
CID 114338463
N-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
CID 124952288
2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 60505182
2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide
CID 8834006
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
N-methyl-2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 175655316
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
2-[2-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119916158
N-(2,6-dimethylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41448251

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]-N-methylacetamide (CID 124721311) is 2-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC[C@H]1c1ccccc1I.
What is the InChIKey of 2-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is ABHNNXAXHSDQMA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17IN2O/c1-15-13(17)9-16-8-4-7-12(16)10-5-2-3-6-11(10)14/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of 2-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]-N-methylacetamide?
2-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 344.20 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 124721311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).