N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide

C11H10BrF4NO2 — CID 107492451

IUPACN-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1c(O)cccc1F)N(CCBr)CC(F)(F)F
InChIInChI=1S/C11H10BrF4NO2/c12-4-5-17(6-11(14,15)16)10(19)9-7(13)2-1-3-8(9)18/h1-3,18H,4-6H2
InChIKeyXTHOCPQYMPEBGO-UHFFFAOYSA-N
MW344.10 g/mol
LogP2.93
Rot. Bonds4

About N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide

N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 107492451) has the molecular formula C11H10BrF4NO2 and a molecular weight of 344.10 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID107492451
Molecular FormulaC11H10BrF4NO2
Molecular Weight344.10 g/mol
Exact Mass342.98
IUPAC NameN-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1c(O)cccc1F)N(CCBr)CC(F)(F)F
InChIInChI=1S/C11H10BrF4NO2/c12-4-5-17(6-11(14,15)16)10(19)9-7(13)2-1-3-8(9)18/h1-3,18H,4-6H2
InChIKeyXTHOCPQYMPEBGO-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.10
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492577
N-(2-bromoethyl)-N-butyl-2,6-difluorobenzamide
CID 80658889
N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107726301
N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107492455
N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492398
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 107492513
2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 104919951
N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
CID 107016848
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107492556
N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493496
N-(2-bromoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 107492514
N-(2-bromoethyl)-N-[(2,6-difluorophenyl)methyl]-2,2,2-trifluoroethanamine
CID 107488454

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide (CID 107492451) is N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide is O=C(c1c(O)cccc1F)N(CCBr)CC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is XTHOCPQYMPEBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF4NO2/c12-4-5-17(6-11(14,15)16)10(19)9-7(13)2-1-3-8(9)18/h1-3,18H,4-6H2.
What are the key properties of N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 344.10 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 107492451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).