2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide

C12H15IN2O3 — CID 106672965

IUPAC2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide
SMILESO=C(CN1CC(O)C(O)C1)Nc1cccc(I)c1
InChIInChI=1S/C12H15IN2O3/c13-8-2-1-3-9(4-8)14-12(18)7-15-5-10(16)11(17)6-15/h1-4,10-11,16-17H,5-7H2,(H,14,18)
InChIKeyOVHQUVPZCHYOGF-UHFFFAOYSA-N
MW362.17 g/mol
LogP0.27
Rot. Bonds3

About 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide

2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide (PubChem CID 106672965) has the molecular formula C12H15IN2O3 and a molecular weight of 362.17 g/mol. Its IUPAC name is 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide
PubChem CID106672965
Molecular FormulaC12H15IN2O3
Molecular Weight362.17 g/mol
Exact Mass362.01
IUPAC Name2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide
SMILESO=C(CN1CC(O)C(O)C1)Nc1cccc(I)c1
InChIInChI=1S/C12H15IN2O3/c13-8-2-1-3-9(4-8)14-12(18)7-15-5-10(16)11(17)6-15/h1-4,10-11,16-17H,5-7H2,(H,14,18)
InChIKeyOVHQUVPZCHYOGF-UHFFFAOYSA-N
XLogP0.27
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
CID 78962531
2-[1-[2-(3-iodoanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684262
N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410437
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-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid
CID 66434673
ethyl 1-[2-(3-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 46801115
ethyl 1-[2-(3-iodoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818414
N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide
CID 97011458
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-iodophenyl)acetamide
CID 98511447
3-(3-iodoanilino)-3-oxopropanoic acid
CID 62230564
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide?
The IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide (CID 106672965) is 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide?
The canonical SMILES for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide is O=C(CN1CC(O)C(O)C1)Nc1cccc(I)c1.
What is the InChIKey of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide?
The InChIKey is OVHQUVPZCHYOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O3/c13-8-2-1-3-9(4-8)14-12(18)7-15-5-10(16)11(17)6-15/h1-4,10-11,16-17H,5-7H2,(H,14,18).
What are the key properties of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide?
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide has a molecular weight of 362.17 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide is sourced from PubChem (CID 106672965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).