2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide

C12H15IN2O2 — CID 78962531

IUPAC2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
SMILESO=C(CN1CC[C@H](O)C1)Nc1cccc(I)c1
InChIInChI=1S/C12H15IN2O2/c13-9-2-1-3-10(6-9)14-12(17)8-15-5-4-11(16)7-15/h1-3,6,11,16H,4-5,7-8H2,(H,14,17)/t11-/m0/s1
InChIKeyCQKZQJPFGHICMP-NSHDSACASA-N
MW346.17 g/mol
LogP1.30
Rot. Bonds3

About 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide

2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide (PubChem CID 78962531) has the molecular formula C12H15IN2O2 and a molecular weight of 346.17 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
PubChem CID78962531
Molecular FormulaC12H15IN2O2
Molecular Weight346.17 g/mol
Exact Mass346.02
IUPAC Name2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
SMILESO=C(CN1CC[C@H](O)C1)Nc1cccc(I)c1
InChIInChI=1S/C12H15IN2O2/c13-9-2-1-3-10(6-9)14-12(17)8-15-5-4-11(16)7-15/h1-3,6,11,16H,4-5,7-8H2,(H,14,17)/t11-/m0/s1
InChIKeyCQKZQJPFGHICMP-NSHDSACASA-N
XLogP1.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 51.30
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

2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 106672965
2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride
CID 119910140
N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919334
2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide
CID 63468164
ethyl 1-[2-(3-iodoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818414
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916119
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide
CID 97011458
2-[1-[2-(3-iodoanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684262
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16786515

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide?
The IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide (CID 78962531) is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide?
The canonical SMILES for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide is O=C(CN1CC[C@H](O)C1)Nc1cccc(I)c1.
What is the InChIKey of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide?
The InChIKey is CQKZQJPFGHICMP-NSHDSACASA-N. The full InChI is InChI=1S/C12H15IN2O2/c13-9-2-1-3-10(6-9)14-12(17)8-15-5-4-11(16)7-15/h1-3,6,11,16H,4-5,7-8H2,(H,14,17)/t11-/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide?
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide has a molecular weight of 346.17 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide is sourced from PubChem (CID 78962531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).