4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide

C15H8BrCl2F4NO2 — CID 134470036

IUPAC4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cc(F)c(Br)cc1OCC(F)(F)F
InChIInChI=1S/C15H8BrCl2F4NO2/c16-8-5-12(25-6-15(20,21)22)7(4-11(8)19)14(24)23-13-9(17)2-1-3-10(13)18/h1-5H,6H2,(H,23,24)
InChIKeyIZKUMPVXEMKIFL-UHFFFAOYSA-N
MW461.04 g/mol
LogP6.09
Rot. Bonds4

About 4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide

4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 134470036) has the molecular formula C15H8BrCl2F4NO2 and a molecular weight of 461.04 g/mol. Its IUPAC name is 4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide
PubChem CID134470036
Molecular FormulaC15H8BrCl2F4NO2
Molecular Weight461.04 g/mol
Exact Mass458.91
IUPAC Name4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cc(F)c(Br)cc1OCC(F)(F)F
InChIInChI=1S/C15H8BrCl2F4NO2/c16-8-5-12(25-6-15(20,21)22)7(4-11(8)19)14(24)23-13-9(17)2-1-3-10(13)18/h1-5H,6H2,(H,23,24)
InChIKeyIZKUMPVXEMKIFL-UHFFFAOYSA-N
XLogP6.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.04
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-6-[4-[(2-chloro-6-fluorophenyl)carbamoyl]-2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide
CID 156722580
4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide
CID 134470072
N-(2-chloro-6-fluorophenyl)-5-fluoro-4-[3-(hydroxymethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-2-(2,2,2-trifluoroethoxy)benzamide
CID 134470393
N-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-methyl-5-oxo-4-propyl-1,2,4-triazol-1-yl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 134470196
4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 146483880
2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247
2-bromo-N-(2,6-dichlorophenyl)-5-methoxybenzamide
CID 60629817
3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide
CID 107951647
N-(2,6-difluorophenyl)-4-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide
CID 134470197
N-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 3816337
5-chloro-N-(2,6-difluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55752771
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
CID 134027237

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide (CID 134470036) is 4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide is O=C(Nc1c(Cl)cccc1Cl)c1cc(F)c(Br)cc1OCC(F)(F)F.
What is the InChIKey of 4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is IZKUMPVXEMKIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2F4NO2/c16-8-5-12(25-6-15(20,21)22)7(4-11(8)19)14(24)23-13-9(17)2-1-3-10(13)18/h1-5H,6H2,(H,23,24).
What are the key properties of 4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide?
4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 461.04 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 134470036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).