5-bromo-2-iodo-N-pyrrol-1-ylbenzamide

C11H8BrIN2O — CID 103739975

IUPAC5-bromo-2-iodo-N-pyrrol-1-ylbenzamide
SMILESO=C(Nn1cccc1)c1cc(Br)ccc1I
InChIInChI=1S/C11H8BrIN2O/c12-8-3-4-10(13)9(7-8)11(16)14-15-5-1-2-6-15/h1-7H,(H,14,16)
InChIKeyJTXOVEIUYVPYFC-UHFFFAOYSA-N
MW391.01 g/mol
LogP3.24
Rot. Bonds2

About 5-bromo-2-iodo-N-pyrrol-1-ylbenzamide

5-bromo-2-iodo-N-pyrrol-1-ylbenzamide (PubChem CID 103739975) has the molecular formula C11H8BrIN2O and a molecular weight of 391.01 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-pyrrol-1-ylbenzamide
PubChem CID103739975
Molecular FormulaC11H8BrIN2O
Molecular Weight391.01 g/mol
Exact Mass389.89
IUPAC Name5-bromo-2-iodo-N-pyrrol-1-ylbenzamide
SMILESO=C(Nn1cccc1)c1cc(Br)ccc1I
InChIInChI=1S/C11H8BrIN2O/c12-8-3-4-10(13)9(7-8)11(16)14-15-5-1-2-6-15/h1-7H,(H,14,16)
InChIKeyJTXOVEIUYVPYFC-UHFFFAOYSA-N
XLogP3.24
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.01
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-iodo-N-pyrrol-1-ylbenzamide
CID 103740512
5-bromo-2-fluoro-N-pyrrol-1-ylbenzamide
CID 79107621
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
5-bromo-2-iodo-N-(2-methylphenyl)benzamide
CID 1368072
5-bromo-2-iodo-N-(3-iodophenyl)benzamide
CID 103600021
5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide
CID 78783688
5-bromo-2-iodo-N-pyridin-2-ylbenzamide
CID 23819192
5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
CID 83058588
5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide
CID 103806278
5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide
CID 79107190
(2S)-2-[(5-bromo-2-iodobenzoyl)amino]pentanedioic acid
CID 61152876
4-iodo-N-pyrrol-1-ylbenzamide
CID 79107507

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-pyrrol-1-ylbenzamide?
The IUPAC name of 5-bromo-2-iodo-N-pyrrol-1-ylbenzamide (CID 103739975) is 5-bromo-2-iodo-N-pyrrol-1-ylbenzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-pyrrol-1-ylbenzamide?
The canonical SMILES for 5-bromo-2-iodo-N-pyrrol-1-ylbenzamide is O=C(Nn1cccc1)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-pyrrol-1-ylbenzamide?
The InChIKey is JTXOVEIUYVPYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrIN2O/c12-8-3-4-10(13)9(7-8)11(16)14-15-5-1-2-6-15/h1-7H,(H,14,16).
What are the key properties of 5-bromo-2-iodo-N-pyrrol-1-ylbenzamide?
5-bromo-2-iodo-N-pyrrol-1-ylbenzamide has a molecular weight of 391.01 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-pyrrol-1-ylbenzamide is sourced from PubChem (CID 103739975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).