5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide

C14H8BrF3INO2 — CID 38034888

IUPAC5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1cc(Br)ccc1I
InChIInChI=1S/C14H8BrF3INO2/c15-8-4-5-12(19)11(6-8)13(21)20-9-2-1-3-10(7-9)22-14(16,17)18/h1-7H,(H,20,21)
InChIKeyDDJJCNWFFXULPC-UHFFFAOYSA-N
MW486.03 g/mol
LogP5.20
Rot. Bonds3

About 5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide

5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 38034888) has the molecular formula C14H8BrF3INO2 and a molecular weight of 486.03 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID38034888
Molecular FormulaC14H8BrF3INO2
Molecular Weight486.03 g/mol
Exact Mass484.87
IUPAC Name5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1cc(Br)ccc1I
InChIInChI=1S/C14H8BrF3INO2/c15-8-4-5-12(19)11(6-8)13(21)20-9-2-1-3-10(7-9)22-14(16,17)18/h1-7H,(H,20,21)
InChIKeyDDJJCNWFFXULPC-UHFFFAOYSA-N
XLogP5.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.03
LogP ≤ 55.20
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-bromo-2-iodo-N-(3-iodophenyl)benzamide
CID 103600021
5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide
CID 78783688
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
5-fluoro-2-hydroxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 155535033
6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 66463651
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38032669
5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide
CID 34845392
5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 34378925
2-hydroxy-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38204734
2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 59014806
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide (CID 38034888) is 5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is DDJJCNWFFXULPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3INO2/c15-8-4-5-12(19)11(6-8)13(21)20-9-2-1-3-10(7-9)22-14(16,17)18/h1-7H,(H,20,21).
What are the key properties of 5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide?
5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 486.03 g/mol, XLogP of 5.20, 3 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-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 38034888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).