5-bromo-2-iodo-N-quinolin-6-ylbenzamide

C16H10BrIN2O — CID 55784458

IUPAC5-bromo-2-iodo-N-quinolin-6-ylbenzamide
SMILESO=C(Nc1ccc2ncccc2c1)c1cc(Br)ccc1I
InChIInChI=1S/C16H10BrIN2O/c17-11-3-5-14(18)13(9-11)16(21)20-12-4-6-15-10(8-12)2-1-7-19-15/h1-9H,(H,20,21)
InChIKeyPFNMEDSSAUMCQD-UHFFFAOYSA-N
MW453.08 g/mol
LogP4.85
Rot. Bonds2

About 5-bromo-2-iodo-N-quinolin-6-ylbenzamide

5-bromo-2-iodo-N-quinolin-6-ylbenzamide (PubChem CID 55784458) has the molecular formula C16H10BrIN2O and a molecular weight of 453.08 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-quinolin-6-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-quinolin-6-ylbenzamide
PubChem CID55784458
Molecular FormulaC16H10BrIN2O
Molecular Weight453.08 g/mol
Exact Mass451.90
IUPAC Name5-bromo-2-iodo-N-quinolin-6-ylbenzamide
SMILESO=C(Nc1ccc2ncccc2c1)c1cc(Br)ccc1I
InChIInChI=1S/C16H10BrIN2O/c17-11-3-5-14(18)13(9-11)16(21)20-12-4-6-15-10(8-12)2-1-7-19-15/h1-9H,(H,20,21)
InChIKeyPFNMEDSSAUMCQD-UHFFFAOYSA-N
XLogP4.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.08
LogP ≤ 54.85
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

3,5-dibromo-N-quinolin-6-ylbenzamide
CID 107980427
N-quinolin-6-ylbenzamide
CID 833617
5-bromo-2-iodo-N-pyridin-2-ylbenzamide
CID 23819192
5-bromo-2-iodo-N-(3-iodophenyl)benzamide
CID 103600021
3-chloro-N-quinolin-6-ylpyridine-4-carboxamide
CID 66484536
5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide
CID 78783688
5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide
CID 34845392
5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34749993
4-chloro-2-hydroxy-N-quinolin-6-ylbenzamide
CID 60783622
3-bromo-N-quinolin-6-ylthiophene-2-carboxamide
CID 60783620
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
2-(2-methoxyethoxy)-N-quinolin-6-ylpyridine-3-carboxamide
CID 60573798

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-quinolin-6-ylbenzamide?
The IUPAC name of 5-bromo-2-iodo-N-quinolin-6-ylbenzamide (CID 55784458) is 5-bromo-2-iodo-N-quinolin-6-ylbenzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-quinolin-6-ylbenzamide?
The canonical SMILES for 5-bromo-2-iodo-N-quinolin-6-ylbenzamide is O=C(Nc1ccc2ncccc2c1)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-quinolin-6-ylbenzamide?
The InChIKey is PFNMEDSSAUMCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrIN2O/c17-11-3-5-14(18)13(9-11)16(21)20-12-4-6-15-10(8-12)2-1-7-19-15/h1-9H,(H,20,21).
What are the key properties of 5-bromo-2-iodo-N-quinolin-6-ylbenzamide?
5-bromo-2-iodo-N-quinolin-6-ylbenzamide has a molecular weight of 453.08 g/mol, XLogP of 4.85, 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-quinolin-6-ylbenzamide is sourced from PubChem (CID 55784458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).