2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide

C13H7Br2F3N2O — CID 103819418

IUPAC2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccnc1Br)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C13H7Br2F3N2O/c14-9-4-3-7(13(16,17)18)6-8(9)12(21)20-10-2-1-5-19-11(10)15/h1-6H,(H,20,21)
InChIKeyQZMXLHWISHYEMQ-UHFFFAOYSA-N
MW424.01 g/mol
LogP4.88
Rot. Bonds2

About 2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide

2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide (PubChem CID 103819418) has the molecular formula C13H7Br2F3N2O and a molecular weight of 424.01 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide
PubChem CID103819418
Molecular FormulaC13H7Br2F3N2O
Molecular Weight424.01 g/mol
Exact Mass421.89
IUPAC Name2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccnc1Br)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C13H7Br2F3N2O/c14-9-4-3-7(13(16,17)18)6-8(9)12(21)20-10-2-1-5-19-11(10)15/h1-6H,(H,20,21)
InChIKeyQZMXLHWISHYEMQ-UHFFFAOYSA-N
XLogP4.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.01
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103943464
2-bromo-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103819052
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide
CID 114051392
2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide
CID 115744112
N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 23632776
N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103819199
2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 113235199
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 63049440
2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751889
N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide
CID 102610051
2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide
CID 115744341

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide (CID 103819418) is 2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide is O=C(Nc1cccnc1Br)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide?
The InChIKey is QZMXLHWISHYEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2F3N2O/c14-9-4-3-7(13(16,17)18)6-8(9)12(21)20-10-2-1-5-19-11(10)15/h1-6H,(H,20,21).
What are the key properties of 2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide?
2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide has a molecular weight of 424.01 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 103819418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).