2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide

C11H13IN2O2 — CID 107732166

IUPAC2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCNC1)c1cc(I)ccc1O
InChIInChI=1S/C11H13IN2O2/c12-7-1-2-10(15)9(5-7)11(16)14-8-3-4-13-6-8/h1-2,5,8,13,15H,3-4,6H2,(H,14,16)/t8-/m0/s1
InChIKeyWOYOAAJRUKBMIB-QMMMGPOBSA-N
MW332.14 g/mol
LogP1.09
Rot. Bonds2

About 2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide

2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 107732166) has the molecular formula C11H13IN2O2 and a molecular weight of 332.14 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID107732166
Molecular FormulaC11H13IN2O2
Molecular Weight332.14 g/mol
Exact Mass332.00
IUPAC Name2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCNC1)c1cc(I)ccc1O
InChIInChI=1S/C11H13IN2O2/c12-7-1-2-10(15)9(5-7)11(16)14-8-3-4-13-6-8/h1-2,5,8,13,15H,3-4,6H2,(H,14,16)/t8-/m0/s1
InChIKeyWOYOAAJRUKBMIB-QMMMGPOBSA-N
XLogP1.09
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 ≤ 51.09
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

5-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62379160
2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451115
3,4-dihydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107728777
2-hydroxy-5-iodo-N-(5-oxopyrrolidin-3-yl)benzamide
CID 103526859
2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide
CID 103711939
5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115298625
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide
CID 104600964
N-(1,1-dioxothian-3-yl)-2-hydroxy-5-iodobenzamide
CID 103710763
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107731367
N-(2-aminocyclopentyl)-2-hydroxy-5-iodobenzamide
CID 107732083

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 107732166) is 2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide is O=C(N[C@H]1CCNC1)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is WOYOAAJRUKBMIB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13IN2O2/c12-7-1-2-10(15)9(5-7)11(16)14-8-3-4-13-6-8/h1-2,5,8,13,15H,3-4,6H2,(H,14,16)/t8-/m0/s1.
What are the key properties of 2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide?
2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 332.14 g/mol, XLogP of 1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 107732166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).