2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide

C12H11IN2O2 — CID 106385091

IUPAC2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide
SMILESO=C(NCc1cc[nH]c1)c1cc(I)ccc1O
InChIInChI=1S/C12H11IN2O2/c13-9-1-2-11(16)10(5-9)12(17)15-7-8-3-4-14-6-8/h1-6,14,16H,7H2,(H,15,17)
InChIKeyUBOJLBISHBJKCP-UHFFFAOYSA-N
MW342.14 g/mol
LogP2.25
Rot. Bonds3

About 2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide

2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide (PubChem CID 106385091) has the molecular formula C12H11IN2O2 and a molecular weight of 342.14 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide
PubChem CID106385091
Molecular FormulaC12H11IN2O2
Molecular Weight342.14 g/mol
Exact Mass341.99
IUPAC Name2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide
SMILESO=C(NCc1cc[nH]c1)c1cc(I)ccc1O
InChIInChI=1S/C12H11IN2O2/c13-9-1-2-11(16)10(5-9)12(17)15-7-8-3-4-14-6-8/h1-6,14,16H,7H2,(H,15,17)
InChIKeyUBOJLBISHBJKCP-UHFFFAOYSA-N
XLogP2.25
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 27256756
2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide
CID 113222923
5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107731417
2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385030
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 107731132
2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103877808
2-hydroxy-5-iodo-N-(2-methylpropyl)benzamide
CID 103600394
2,4-dichloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114182114
4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385485
2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide
CID 103713631
2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide
CID 103725448
2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114182013

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide (CID 106385091) is 2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide is O=C(NCc1cc[nH]c1)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide?
The InChIKey is UBOJLBISHBJKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O2/c13-9-1-2-11(16)10(5-9)12(17)15-7-8-3-4-14-6-8/h1-6,14,16H,7H2,(H,15,17).
What are the key properties of 2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide?
2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide has a molecular weight of 342.14 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide is sourced from PubChem (CID 106385091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).