N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C12H14BrF3N2O — CID 78914874

IUPACN-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(NC(=O)CNCC(F)(F)F)c1ccccc1Br
InChIInChI=1S/C12H14BrF3N2O/c1-8(9-4-2-3-5-10(9)13)18-11(19)6-17-7-12(14,15)16/h2-5,8,17H,6-7H2,1H3,(H,18,19)
InChIKeyKMNDPYOHMUIHSS-UHFFFAOYSA-N
MW339.16 g/mol
LogP2.78
Rot. Bonds5

About N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914874) has the molecular formula C12H14BrF3N2O and a molecular weight of 339.16 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914874
Molecular FormulaC12H14BrF3N2O
Molecular Weight339.16 g/mol
Exact Mass338.02
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(NC(=O)CNCC(F)(F)F)c1ccccc1Br
InChIInChI=1S/C12H14BrF3N2O/c1-8(9-4-2-3-5-10(9)13)18-11(19)6-17-7-12(14,15)16/h2-5,8,17H,6-7H2,1H3,(H,18,19)
InChIKeyKMNDPYOHMUIHSS-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81376338
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595976
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide
CID 81383775
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955
N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914722
4-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 81379321
N-[1-(2-bromophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78807026
N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47123169
N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81396707
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide
CID 114327349

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914874) is N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC(NC(=O)CNCC(F)(F)F)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is KMNDPYOHMUIHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2O/c1-8(9-4-2-3-5-10(9)13)18-11(19)6-17-7-12(14,15)16/h2-5,8,17H,6-7H2,1H3,(H,18,19).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 339.16 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).