N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H10BrF3N2O — CID 28595976

IUPACN-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1ccccc1Br
InChIInChI=1S/C10H10BrF3N2O/c11-7-3-1-2-4-8(7)16-9(17)5-15-6-10(12,13)14/h1-4,15H,5-6H2,(H,16,17)
InChIKeyYKEBPOYFCJRHMB-UHFFFAOYSA-N
MW311.10 g/mol
LogP2.54
Rot. Bonds4

About N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 28595976) has the molecular formula C10H10BrF3N2O and a molecular weight of 311.10 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID28595976
Molecular FormulaC10H10BrF3N2O
Molecular Weight311.10 g/mol
Exact Mass309.99
IUPAC NameN-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1ccccc1Br
InChIInChI=1S/C10H10BrF3N2O/c11-7-3-1-2-4-8(7)16-9(17)5-15-6-10(12,13)14/h1-4,15H,5-6H2,(H,16,17)
InChIKeyYKEBPOYFCJRHMB-UHFFFAOYSA-N
XLogP2.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165853
N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914907
N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914752
N-(2-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595958
N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide
CID 78957981
3-bromo-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzoic acid
CID 79261010
N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957842
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914874
N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905582
N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 28586901
N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide
CID 60646717

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 28595976) is N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is YKEBPOYFCJRHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O/c11-7-3-1-2-4-8(7)16-9(17)5-15-6-10(12,13)14/h1-4,15H,5-6H2,(H,16,17).
What are the key properties of N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 311.10 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 28595976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).