5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide

C11H10BrF3INO — CID 113461627

IUPAC5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide
SMILESCC(CC(F)(F)F)NC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C11H10BrF3INO/c1-6(5-11(13,14)15)17-10(18)8-4-7(12)2-3-9(8)16/h2-4,6H,5H2,1H3,(H,17,18)
InChIKeyFWODNXWFONPNDX-UHFFFAOYSA-N
MW436.01 g/mol
LogP4.12
Rot. Bonds3

About 5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide

5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide (PubChem CID 113461627) has the molecular formula C11H10BrF3INO and a molecular weight of 436.01 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide
PubChem CID113461627
Molecular FormulaC11H10BrF3INO
Molecular Weight436.01 g/mol
Exact Mass434.89
IUPAC Name5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide
SMILESCC(CC(F)(F)F)NC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C11H10BrF3INO/c1-6(5-11(13,14)15)17-10(18)8-4-7(12)2-3-9(8)16/h2-4,6H,5H2,1H3,(H,17,18)
InChIKeyFWODNXWFONPNDX-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.01
LogP ≤ 54.12
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

5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide
CID 47113790
5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
CID 83058588
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide
CID 113265743
(2R)-2-[(5-bromo-2-iodobenzoyl)amino]-3-hydroxypropanoic acid
CID 80747894
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
3-[(5-bromo-2-iodobenzoyl)amino]-2-methylpropanoic acid
CID 55105447
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide
CID 62522095
5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide
CID 47456163
N-(2-amino-3-methylbutyl)-5-bromo-2-iodobenzamide
CID 113265778
2-[(5-bromo-2-iodobenzoyl)amino]hexanoic acid
CID 43387033
5-bromo-2-fluoro-N-pentan-2-ylbenzamide
CID 24700042
5-bromo-N-(2-ethylbutyl)-2-iodobenzamide
CID 115612616

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide?
The IUPAC name of 5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide (CID 113461627) is 5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide is CC(CC(F)(F)F)NC(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide?
The InChIKey is FWODNXWFONPNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3INO/c1-6(5-11(13,14)15)17-10(18)8-4-7(12)2-3-9(8)16/h2-4,6H,5H2,1H3,(H,17,18).
What are the key properties of 5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide?
5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide has a molecular weight of 436.01 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide is sourced from PubChem (CID 113461627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).