2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide

C14H19IN2O2 — CID 107732095

IUPAC2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1cc(I)ccc1O)C1CCNC1
InChIInChI=1S/C14H19IN2O2/c1-2-7-17(11-5-6-16-9-11)14(19)12-8-10(15)3-4-13(12)18/h3-4,8,11,16,18H,2,5-7,9H2,1H3
InChIKeyHQIZFMNQEAIXHR-UHFFFAOYSA-N
MW374.22 g/mol
LogP2.21
Rot. Bonds4

About 2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide

2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 107732095) has the molecular formula C14H19IN2O2 and a molecular weight of 374.22 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide
PubChem CID107732095
Molecular FormulaC14H19IN2O2
Molecular Weight374.22 g/mol
Exact Mass374.05
IUPAC Name2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1cc(I)ccc1O)C1CCNC1
InChIInChI=1S/C14H19IN2O2/c1-2-7-17(11-5-6-16-9-11)14(19)12-8-10(15)3-4-13(12)18/h3-4,8,11,16,18H,2,5-7,9H2,1H3
InChIKeyHQIZFMNQEAIXHR-UHFFFAOYSA-N
XLogP2.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 52.21
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-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 107732093
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 107732147
5-chloro-2-hydroxy-N-piperidin-3-yl-N-propylbenzamide
CID 63636752
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
2-hydroxy-5-iodo-N,N-dipropylbenzamide
CID 103602027
N-cyclopropyl-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115298911
4-methyl-6-oxo-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
CID 124612474
2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 68918145

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide (CID 107732095) is 2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide is CCCN(C(=O)c1cc(I)ccc1O)C1CCNC1.
What is the InChIKey of 2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is HQIZFMNQEAIXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2/c1-2-7-17(11-5-6-16-9-11)14(19)12-8-10(15)3-4-13(12)18/h3-4,8,11,16,18H,2,5-7,9H2,1H3.
What are the key properties of 2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide?
2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 374.22 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 107732095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).