3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide

C12H12BrF3N2O2 — CID 52599948

IUPAC3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide
SMILESCN(CC(F)(F)F)C(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C12H12BrF3N2O2/c1-18(7-12(14,15)16)10(19)6-17-11(20)8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3,(H,17,20)
InChIKeyLHJNCQUWFXDLGR-UHFFFAOYSA-N
MW353.14 g/mol
LogP2.20
Rot. Bonds4

About 3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide

3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide (PubChem CID 52599948) has the molecular formula C12H12BrF3N2O2 and a molecular weight of 353.14 g/mol. Its IUPAC name is 3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide
PubChem CID52599948
Molecular FormulaC12H12BrF3N2O2
Molecular Weight353.14 g/mol
Exact Mass352.00
IUPAC Name3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide
SMILESCN(CC(F)(F)F)C(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C12H12BrF3N2O2/c1-18(7-12(14,15)16)10(19)6-17-11(20)8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3,(H,17,20)
InChIKeyLHJNCQUWFXDLGR-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.14
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 51161234
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3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide
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3-bromo-N-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]benzamide
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CID 130552052
3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide
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N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78852071
3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135783247
3-bromo-N-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]benzamide
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N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide (CID 52599948) is 3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide is CN(CC(F)(F)F)C(=O)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is LHJNCQUWFXDLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3N2O2/c1-18(7-12(14,15)16)10(19)6-17-11(20)8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3,(H,17,20).
What are the key properties of 3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide?
3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 353.14 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 52599948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).