2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide

C13H13IN2O2 — CID 103725448

IUPAC2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide
SMILESO=C(NCCn1cccc1)c1cc(I)ccc1O
InChIInChI=1S/C13H13IN2O2/c14-10-3-4-12(17)11(9-10)13(18)15-5-8-16-6-1-2-7-16/h1-4,6-7,9,17H,5,8H2,(H,15,18)
InChIKeyAWYMKRUYWFOXAD-UHFFFAOYSA-N
MW356.16 g/mol
LogP2.23
Rot. Bonds4

About 2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide

2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide (PubChem CID 103725448) has the molecular formula C13H13IN2O2 and a molecular weight of 356.16 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide
PubChem CID103725448
Molecular FormulaC13H13IN2O2
Molecular Weight356.16 g/mol
Exact Mass356.00
IUPAC Name2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide
SMILESO=C(NCCn1cccc1)c1cc(I)ccc1O
InChIInChI=1S/C13H13IN2O2/c14-10-3-4-12(17)11(9-10)13(18)15-5-8-16-6-1-2-7-16/h1-4,6-7,9,17H,5,8H2,(H,15,18)
InChIKeyAWYMKRUYWFOXAD-UHFFFAOYSA-N
XLogP2.23
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.16
LogP ≤ 52.23
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

3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide
CID 103722595
2-hydroxy-5-iodo-N-(2-morpholin-4-ylethyl)benzamide
CID 103600398
2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide
CID 103713631
2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide
CID 107732069
2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 113246125
3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide
CID 103762370
2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 103722588
2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103877808
2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide
CID 113226265
2-bromo-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716239
2-hydroxy-5-iodo-N-(2-methylpropyl)benzamide
CID 103600394
2-amino-3-fluoro-N-(2-pyrrol-1-ylethyl)benzamide
CID 114182709

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide (CID 103725448) is 2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide is O=C(NCCn1cccc1)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide?
The InChIKey is AWYMKRUYWFOXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O2/c14-10-3-4-12(17)11(9-10)13(18)15-5-8-16-6-1-2-7-16/h1-4,6-7,9,17H,5,8H2,(H,15,18).
What are the key properties of 2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide?
2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide has a molecular weight of 356.16 g/mol, XLogP of 2.23, 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-(2-pyrrol-1-ylethyl)benzamide is sourced from PubChem (CID 103725448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).