2-bromo-N-[2,2-difluoro-2-(2,4,6-trifluorophenyl)ethyl]benzamide

C15H9BrF5NO — CID 125464714

IUPAC2-bromo-N-[2,2-difluoro-2-(2,4,6-trifluorophenyl)ethyl]benzamide
SMILESO=C(NCC(F)(F)c1c(F)cc(F)cc1F)c1ccccc1Br
InChIInChI=1S/C15H9BrF5NO/c16-10-4-2-1-3-9(10)14(23)22-7-15(20,21)13-11(18)5-8(17)6-12(13)19/h1-6H,7H2,(H,22,23)
InChIKeyIXLLLKPCWOLNHA-UHFFFAOYSA-N
MW394.14 g/mol
LogP4.39
Rot. Bonds4

About 2-bromo-N-[2,2-difluoro-2-(2,4,6-trifluorophenyl)ethyl]benzamide

2-bromo-N-[2,2-difluoro-2-(2,4,6-trifluorophenyl)ethyl]benzamide (PubChem CID 125464714) has the molecular formula C15H9BrF5NO and a molecular weight of 394.14 g/mol. Its IUPAC name is 2-bromo-N-[2,2-difluoro-2-(2,4,6-trifluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2,2-difluoro-2-(2,4,6-trifluorophenyl)ethyl]benzamide
PubChem CID125464714
Molecular FormulaC15H9BrF5NO
Molecular Weight394.14 g/mol
Exact Mass392.98
IUPAC Name2-bromo-N-[2,2-difluoro-2-(2,4,6-trifluorophenyl)ethyl]benzamide
SMILESO=C(NCC(F)(F)c1c(F)cc(F)cc1F)c1ccccc1Br
InChIInChI=1S/C15H9BrF5NO/c16-10-4-2-1-3-9(10)14(23)22-7-15(20,21)13-11(18)5-8(17)6-12(13)19/h1-6H,7H2,(H,22,23)
InChIKeyIXLLLKPCWOLNHA-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.14
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide
CID 125465006
3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide
CID 106548223
2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95368019
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
2-bromo-N-[(5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46090136
2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 26578993
N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide
CID 107956309
2-bromo-N-(2-chloroethyl)benzamide
CID 12793324
N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide
CID 86267113
2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide
CID 125464994
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 63049440
2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90497940

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2,2-difluoro-2-(2,4,6-trifluorophenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2,2-difluoro-2-(2,4,6-trifluorophenyl)ethyl]benzamide (CID 125464714) is 2-bromo-N-[2,2-difluoro-2-(2,4,6-trifluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2,2-difluoro-2-(2,4,6-trifluorophenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2,2-difluoro-2-(2,4,6-trifluorophenyl)ethyl]benzamide is O=C(NCC(F)(F)c1c(F)cc(F)cc1F)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2,2-difluoro-2-(2,4,6-trifluorophenyl)ethyl]benzamide?
The InChIKey is IXLLLKPCWOLNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF5NO/c16-10-4-2-1-3-9(10)14(23)22-7-15(20,21)13-11(18)5-8(17)6-12(13)19/h1-6H,7H2,(H,22,23).
What are the key properties of 2-bromo-N-[2,2-difluoro-2-(2,4,6-trifluorophenyl)ethyl]benzamide?
2-bromo-N-[2,2-difluoro-2-(2,4,6-trifluorophenyl)ethyl]benzamide has a molecular weight of 394.14 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2,2-difluoro-2-(2,4,6-trifluorophenyl)ethyl]benzamide is sourced from PubChem (CID 125464714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).