N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide

C14H8BrF3INO — CID 60630150

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccccc1I
InChIInChI=1S/C14H8BrF3INO/c15-11-6-5-8(7-10(11)14(16,17)18)20-13(21)9-3-1-2-4-12(9)19/h1-7H,(H,20,21)
InChIKeyORLUKCNNYPRUJV-UHFFFAOYSA-N
MW470.03 g/mol
LogP5.32
Rot. Bonds2

About N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide (PubChem CID 60630150) has the molecular formula C14H8BrF3INO and a molecular weight of 470.03 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide
PubChem CID60630150
Molecular FormulaC14H8BrF3INO
Molecular Weight470.03 g/mol
Exact Mass468.88
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccccc1I
InChIInChI=1S/C14H8BrF3INO/c15-11-6-5-8(7-10(11)14(16,17)18)20-13(21)9-3-1-2-4-12(9)19/h1-7H,(H,20,21)
InChIKeyORLUKCNNYPRUJV-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.03
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751889
N-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide
CID 5090164
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106685898
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methyl-3-nitrobenzamide
CID 26864154
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 8919733
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24665224
4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide
CID 2579701
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 78906787
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide
CID 7920374
N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 2421792
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide (CID 60630150) is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide is O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccccc1I.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide?
The InChIKey is ORLUKCNNYPRUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3INO/c15-11-6-5-8(7-10(11)14(16,17)18)20-13(21)9-3-1-2-4-12(9)19/h1-7H,(H,20,21).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide has a molecular weight of 470.03 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide is sourced from PubChem (CID 60630150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).