N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide

C13H5BrF5NO — CID 79754685

IUPACN-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide
SMILESO=C(Nc1c(F)cc(Br)cc1F)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H5BrF5NO/c14-5-3-8(16)12(9(17)4-5)20-13(21)6-1-2-7(15)11(19)10(6)18/h1-4H,(H,20,21)
InChIKeyCGXUETOEODJWFY-UHFFFAOYSA-N
MW366.08 g/mol
LogP4.40
Rot. Bonds2

About N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide

N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide (PubChem CID 79754685) has the molecular formula C13H5BrF5NO and a molecular weight of 366.08 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide
PubChem CID79754685
Molecular FormulaC13H5BrF5NO
Molecular Weight366.08 g/mol
Exact Mass364.95
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide
SMILESO=C(Nc1c(F)cc(Br)cc1F)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H5BrF5NO/c14-5-3-8(16)12(9(17)4-5)20-13(21)6-1-2-7(15)11(19)10(6)18/h1-4H,(H,20,21)
InChIKeyCGXUETOEODJWFY-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.08
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide
CID 65469148
N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide
CID 65470097
2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 65469243
2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid
CID 65470052
4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide
CID 43126410
3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 107972354
3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide
CID 107121169
N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide
CID 81024059
N-(4-bromo-2,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115666671
N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
CID 2197858
N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide
CID 28560277
4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide
CID 81245018

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide (CID 79754685) is N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide is O=C(Nc1c(F)cc(Br)cc1F)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide?
The InChIKey is CGXUETOEODJWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5BrF5NO/c14-5-3-8(16)12(9(17)4-5)20-13(21)6-1-2-7(15)11(19)10(6)18/h1-4H,(H,20,21).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide?
N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide has a molecular weight of 366.08 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide is sourced from PubChem (CID 79754685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).