3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide

C11H10BrF4NO — CID 78883881

IUPAC3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C11H10BrF4NO/c1-2-17(6-11(14,15)16)10(18)7-3-8(12)5-9(13)4-7/h3-5H,2,6H2,1H3
InChIKeyNXLGMDBLQIHHAK-UHFFFAOYSA-N
MW328.10 g/mol
LogP3.61
Rot. Bonds3

About 3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide

3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 78883881) has the molecular formula C11H10BrF4NO and a molecular weight of 328.10 g/mol. Its IUPAC name is 3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID78883881
Molecular FormulaC11H10BrF4NO
Molecular Weight328.10 g/mol
Exact Mass326.99
IUPAC Name3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C11H10BrF4NO/c1-2-17(6-11(14,15)16)10(18)7-3-8(12)5-9(13)4-7/h3-5H,2,6H2,1H3
InChIKeyNXLGMDBLQIHHAK-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.10
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dibromo-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103908249
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632
3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide
CID 113468238
5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 62814927
N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858694
4-carbamothioyl-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009098
N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 104627951
3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55006686
4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane
CID 161395322
N,N-diethyl-3-fluoro-5-sulfamoylbenzamide
CID 65375543
2-[(3-bromo-5-fluorobenzoyl)-methylamino]propanoic acid
CID 55096580
4-bromo-N-(2,2-dimethylpropyl)-3,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 56531217

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide (CID 78883881) is 3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide is CCN(CC(F)(F)F)C(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is NXLGMDBLQIHHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF4NO/c1-2-17(6-11(14,15)16)10(18)7-3-8(12)5-9(13)4-7/h3-5H,2,6H2,1H3.
What are the key properties of 3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 328.10 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 78883881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).