(2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate

C18H14F3NO5 — CID 8850997

IUPAC(2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate
SMILESO=C(COC(=O)COc1cccc(C(F)(F)F)c1)NC(=O)c1ccccc1
InChIInChI=1S/C18H14F3NO5/c19-18(20,21)13-7-4-8-14(9-13)26-11-16(24)27-10-15(23)22-17(25)12-5-2-1-3-6-12/h1-9H,10-11H2,(H,22,23,25)
InChIKeyAVYKLSQOIKWESX-UHFFFAOYSA-N
MW381.31 g/mol
LogP2.58
Rot. Bonds6

About (2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate

(2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate (PubChem CID 8850997) has the molecular formula C18H14F3NO5 and a molecular weight of 381.31 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate
PubChem CID8850997
Molecular FormulaC18H14F3NO5
Molecular Weight381.31 g/mol
Exact Mass381.08
IUPAC Name(2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate
SMILESO=C(COC(=O)COc1cccc(C(F)(F)F)c1)NC(=O)c1ccccc1
InChIInChI=1S/C18H14F3NO5/c19-18(20,21)13-7-4-8-14(9-13)26-11-16(24)27-10-15(23)22-17(25)12-5-2-1-3-6-12/h1-9H,10-11H2,(H,22,23,25)
InChIKeyAVYKLSQOIKWESX-UHFFFAOYSA-N
XLogP2.58
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 8912438
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853969
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915149
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 8912726
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853946
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate
CID 7903100
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853982
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694609
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate
CID 8915553
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853960
(2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate
CID 35862747

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate (CID 8850997) is (2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate is O=C(COC(=O)COc1cccc(C(F)(F)F)c1)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate?
The InChIKey is AVYKLSQOIKWESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO5/c19-18(20,21)13-7-4-8-14(9-13)26-11-16(24)27-10-15(23)22-17(25)12-5-2-1-3-6-12/h1-9H,10-11H2,(H,22,23,25).
What are the key properties of (2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate?
(2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate has a molecular weight of 381.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate is sourced from PubChem (CID 8850997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).