2-amino-1-(2,4,6-trichlorophenyl)ethanone

C8H6Cl3NO — CID 70444583

IUPAC2-amino-1-(2,4,6-trichlorophenyl)ethanone
SMILESNCC(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl3NO/c9-4-1-5(10)8(6(11)2-4)7(13)3-12/h1-2H,3,12H2
InChIKeyXHYOSFBUKHFEES-UHFFFAOYSA-N
MW238.50 g/mol
LogP2.79
Rot. Bonds2

About 2-amino-1-(2,4,6-trichlorophenyl)ethanone

2-amino-1-(2,4,6-trichlorophenyl)ethanone (PubChem CID 70444583) has the molecular formula C8H6Cl3NO and a molecular weight of 238.50 g/mol. Its IUPAC name is 2-amino-1-(2,4,6-trichlorophenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2,4,6-trichlorophenyl)ethanone
PubChem CID70444583
Molecular FormulaC8H6Cl3NO
Molecular Weight238.50 g/mol
Exact Mass236.95
IUPAC Name2-amino-1-(2,4,6-trichlorophenyl)ethanone
SMILESNCC(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl3NO/c9-4-1-5(10)8(6(11)2-4)7(13)3-12/h1-2H,3,12H2
InChIKeyXHYOSFBUKHFEES-UHFFFAOYSA-N
XLogP2.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone
CID 84807436
2-phenyl-1-(2,4,6-trichlorophenyl)ethanone
CID 105349057
lithium [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide
CID 141022914
2,4,6-trichlorobenzoyl fluoride
CID 154123611
ethyl 2,4,6-trichlorobenzoate
CID 91733956
3,3-dimethyl-5-oxo-5-(2,4,6-trichlorophenyl)pentanoic acid
CID 105349519
2-bromo-1-(2-bromo-4,6-dichlorophenyl)ethanone
CID 171032915
2-(6-amino-2-pyridinyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 58138650
2-amino-1-(2-bromo-6-chlorophenyl)ethanone
CID 84706659
2-amino-1-(2-chloro-6-fluorophenyl)ethanone
CID 65179390
ethyl 2-oxo-2-(2,4,6-trichlorophenyl)acetate
CID 105349729
1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone
CID 171014015

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,4,6-trichlorophenyl)ethanone?
The IUPAC name of 2-amino-1-(2,4,6-trichlorophenyl)ethanone (CID 70444583) is 2-amino-1-(2,4,6-trichlorophenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2,4,6-trichlorophenyl)ethanone?
The canonical SMILES for 2-amino-1-(2,4,6-trichlorophenyl)ethanone is NCC(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-1-(2,4,6-trichlorophenyl)ethanone?
The InChIKey is XHYOSFBUKHFEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3NO/c9-4-1-5(10)8(6(11)2-4)7(13)3-12/h1-2H,3,12H2.
What are the key properties of 2-amino-1-(2,4,6-trichlorophenyl)ethanone?
2-amino-1-(2,4,6-trichlorophenyl)ethanone has a molecular weight of 238.50 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,4,6-trichlorophenyl)ethanone is sourced from PubChem (CID 70444583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).