4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

C11H10BrF3N2O2 — CID 47102738

IUPAC4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)NCC(F)(F)F
InChIInChI=1S/C11H10BrF3N2O2/c12-8-3-1-7(2-4-8)10(19)16-5-9(18)17-6-11(13,14)15/h1-4H,5-6H2,(H,16,19)(H,17,18)
InChIKeyXCMLAESRVCXOMN-UHFFFAOYSA-N
MW339.11 g/mol
LogP1.86
Rot. Bonds4

About 4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (PubChem CID 47102738) has the molecular formula C11H10BrF3N2O2 and a molecular weight of 339.11 g/mol. Its IUPAC name is 4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
PubChem CID47102738
Molecular FormulaC11H10BrF3N2O2
Molecular Weight339.11 g/mol
Exact Mass337.99
IUPAC Name4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)NCC(F)(F)F
InChIInChI=1S/C11H10BrF3N2O2/c12-8-3-1-7(2-4-8)10(19)16-5-9(18)17-6-11(13,14)15/h1-4H,5-6H2,(H,16,19)(H,17,18)
InChIKeyXCMLAESRVCXOMN-UHFFFAOYSA-N
XLogP1.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66174010
4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
CID 65114999
4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166561
2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide
CID 47066065
3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166529
6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 115283099
3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 119737424
4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701326
4-bromo-N-(2-oxopropyl)benzamide
CID 64997331
4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
CID 17488295
4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 35184223
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 4842902

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (CID 47102738) is 4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is O=C(CNC(=O)c1ccc(Br)cc1)NCC(F)(F)F.
What is the InChIKey of 4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The InChIKey is XCMLAESRVCXOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O2/c12-8-3-1-7(2-4-8)10(19)16-5-9(18)17-6-11(13,14)15/h1-4H,5-6H2,(H,16,19)(H,17,18).
What are the key properties of 4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide has a molecular weight of 339.11 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is sourced from PubChem (CID 47102738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).