2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate

C11H8ClF3NO4- — CID 7407565

IUPAC2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate
SMILESO=C([O-])COCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H9ClF3NO4/c12-7-2-1-6(11(13,14)15)3-8(7)16-9(17)4-20-5-10(18)19/h1-3H,4-5H2,(H,16,17)(H,18,19)/p-1
InChIKeyHWKIJASQYAMDMK-UHFFFAOYSA-M
MW310.64 g/mol
LogP1.06
Rot. Bonds5

About 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate

2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate (PubChem CID 7407565) has the molecular formula C11H8ClF3NO4- and a molecular weight of 310.64 g/mol. Its IUPAC name is 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate.

Molecular Properties

Compound Name2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate
PubChem CID7407565
Molecular FormulaC11H8ClF3NO4-
Molecular Weight310.64 g/mol
Exact Mass310.01
IUPAC Name2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate
SMILESO=C([O-])COCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H9ClF3NO4/c12-7-2-1-6(11(13,14)15)3-8(7)16-9(17)4-20-5-10(18)19/h1-3H,4-5H2,(H,16,17)(H,18,19)/p-1
InChIKeyHWKIJASQYAMDMK-UHFFFAOYSA-M
XLogP1.06
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.64
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] (2R)-2-(carbamoylamino)propanoate
CID 2367757
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(carbamoylamino)propanoate
CID 3655422
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777191
2-(benzylideneamino)oxy-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2336634
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1184428
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 747189
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 2631675
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propylphenoxy)acetamide
CID 19172179
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7668422
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7698344
1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17479149

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate?
The IUPAC name of 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate (CID 7407565) is 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate.
What is the SMILES notation for 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate?
The canonical SMILES for 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate is O=C([O-])COCC(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate?
The InChIKey is HWKIJASQYAMDMK-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9ClF3NO4/c12-7-2-1-6(11(13,14)15)3-8(7)16-9(17)4-20-5-10(18)19/h1-3H,4-5H2,(H,16,17)(H,18,19)/p-1.
What are the key properties of 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate?
2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate has a molecular weight of 310.64 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate is sourced from PubChem (CID 7407565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).