4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide

C11H13IN2O2 — CID 43124625

IUPAC4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)C1CC(O)CN1
InChIInChI=1S/C11H13IN2O2/c12-7-2-1-3-8(4-7)14-11(16)10-5-9(15)6-13-10/h1-4,9-10,13,15H,5-6H2,(H,14,16)
InChIKeyKBFUMSLFLUOXEG-UHFFFAOYSA-N
MW332.14 g/mol
LogP0.95
Rot. Bonds2

About 4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide

4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide (PubChem CID 43124625) has the molecular formula C11H13IN2O2 and a molecular weight of 332.14 g/mol. Its IUPAC name is 4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide
PubChem CID43124625
Molecular FormulaC11H13IN2O2
Molecular Weight332.14 g/mol
Exact Mass332.00
IUPAC Name4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)C1CC(O)CN1
InChIInChI=1S/C11H13IN2O2/c12-7-2-1-3-8(4-7)14-11(16)10-5-9(15)6-13-10/h1-4,9-10,13,15H,5-6H2,(H,14,16)
InChIKeyKBFUMSLFLUOXEG-UHFFFAOYSA-N
XLogP0.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817
N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214459
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670749
4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 43120856
4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119857481
N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119770525
N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119892146
N-[3-(2-fluoroethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119808988
N-[4-(carbamoylamino)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43711133
4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119852977
4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119712065

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide (CID 43124625) is 4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide is O=C(Nc1cccc(I)c1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide?
The InChIKey is KBFUMSLFLUOXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O2/c12-7-2-1-3-8(4-7)14-11(16)10-5-9(15)6-13-10/h1-4,9-10,13,15H,5-6H2,(H,14,16).
What are the key properties of 4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide has a molecular weight of 332.14 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43124625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).