2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide

C10H7BrF4INO — CID 103528337

IUPAC2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESO=C(NCC(F)(F)C(F)F)c1cc(I)ccc1Br
InChIInChI=1S/C10H7BrF4INO/c11-7-2-1-5(16)3-6(7)8(18)17-4-10(14,15)9(12)13/h1-3,9H,4H2,(H,17,18)
InChIKeyOFYHXUDLOJTICY-UHFFFAOYSA-N
MW439.97 g/mol
LogP3.68
Rot. Bonds4

About 2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide

2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide (PubChem CID 103528337) has the molecular formula C10H7BrF4INO and a molecular weight of 439.97 g/mol. Its IUPAC name is 2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide
PubChem CID103528337
Molecular FormulaC10H7BrF4INO
Molecular Weight439.97 g/mol
Exact Mass438.87
IUPAC Name2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESO=C(NCC(F)(F)C(F)F)c1cc(I)ccc1Br
InChIInChI=1S/C10H7BrF4INO/c11-7-2-1-5(16)3-6(7)8(18)17-4-10(14,15)9(12)13/h1-3,9H,4H2,(H,17,18)
InChIKeyOFYHXUDLOJTICY-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.97
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-bromo-5-iodobenzamide
CID 114026196
2-bromo-5-iodobenzohydrazide
CID 3623021
2-bromo-N-but-3-ynyl-5-iodobenzamide
CID 103989976
2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide
CID 113364210
2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106547554
2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide
CID 103994631
2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide
CID 103528324
4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528791
4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528310
2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103995758
2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide
CID 106157956
2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528381

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The IUPAC name of 2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide (CID 103528337) is 2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide.
What is the SMILES notation for 2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The canonical SMILES for 2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide is O=C(NCC(F)(F)C(F)F)c1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The InChIKey is OFYHXUDLOJTICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF4INO/c11-7-2-1-5(16)3-6(7)8(18)17-4-10(14,15)9(12)13/h1-3,9H,4H2,(H,17,18).
What are the key properties of 2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide?
2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide has a molecular weight of 439.97 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide is sourced from PubChem (CID 103528337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).