2-bromo-4-iodo-3-(trifluoromethyl)benzamide

C8H4BrF3INO — CID 171002470

IUPAC2-bromo-4-iodo-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(I)c(C(F)(F)F)c1Br
InChIInChI=1S/C8H4BrF3INO/c9-6-3(7(14)15)1-2-4(13)5(6)8(10,11)12/h1-2H,(H2,14,15)
InChIKeyUQDHHRGORLJYEE-UHFFFAOYSA-N
MW393.93 g/mol
LogP3.17
Rot. Bonds1

About 2-bromo-4-iodo-3-(trifluoromethyl)benzamide

2-bromo-4-iodo-3-(trifluoromethyl)benzamide (PubChem CID 171002470) has the molecular formula C8H4BrF3INO and a molecular weight of 393.93 g/mol. Its IUPAC name is 2-bromo-4-iodo-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-iodo-3-(trifluoromethyl)benzamide
PubChem CID171002470
Molecular FormulaC8H4BrF3INO
Molecular Weight393.93 g/mol
Exact Mass392.85
IUPAC Name2-bromo-4-iodo-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(I)c(C(F)(F)F)c1Br
InChIInChI=1S/C8H4BrF3INO/c9-6-3(7(14)15)1-2-4(13)5(6)8(10,11)12/h1-2H,(H2,14,15)
InChIKeyUQDHHRGORLJYEE-UHFFFAOYSA-N
XLogP3.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.93
LogP ≤ 53.17
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

4-iodo-3-nitro-2-(trifluoromethyl)benzamide
CID 171018537
4-hydroxy-2,3-bis(trifluoromethyl)benzamide
CID 118854529
2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 50878544
ethyl 4-iodo-2,3-bis(trifluoromethyl)benzoate
CID 134638565
2-amino-4-fluoro-3-(trifluoromethyl)benzamide
CID 118998970
2-bromo-1-(difluoromethyl)-4-iodo-3-(trifluoromethyl)benzene
CID 171002749
2-bromo-1-(bromomethyl)-4-iodo-3-(trifluoromethyl)benzene
CID 171002696
3-bromo-4-iodo-2-(trifluoromethyl)aniline
CID 130699155
6-acetyl-3-iodo-2-(trifluoromethyl)benzaldehyde
CID 171016574
5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130865841
6-amino-3-iodo-2-(trifluoromethyl)benzoic acid
CID 131300034
2,3-diiodobenzene-1,4-dicarboxamide
CID 175130034

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-iodo-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-bromo-4-iodo-3-(trifluoromethyl)benzamide (CID 171002470) is 2-bromo-4-iodo-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-bromo-4-iodo-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-bromo-4-iodo-3-(trifluoromethyl)benzamide is NC(=O)c1ccc(I)c(C(F)(F)F)c1Br.
What is the InChIKey of 2-bromo-4-iodo-3-(trifluoromethyl)benzamide?
The InChIKey is UQDHHRGORLJYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3INO/c9-6-3(7(14)15)1-2-4(13)5(6)8(10,11)12/h1-2H,(H2,14,15).
What are the key properties of 2-bromo-4-iodo-3-(trifluoromethyl)benzamide?
2-bromo-4-iodo-3-(trifluoromethyl)benzamide has a molecular weight of 393.93 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-iodo-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 171002470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).