benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate

C17H14F3NO4 — CID 27898594

IUPACbenzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate
SMILESO=C(CNC(=O)c1ccc(OC(F)(F)F)cc1)OCc1ccccc1
InChIInChI=1S/C17H14F3NO4/c18-17(19,20)25-14-8-6-13(7-9-14)16(23)21-10-15(22)24-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,23)
InChIKeyKOHIDAUGOXMISW-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.06
Rot. Bonds6

About benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate

benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate (PubChem CID 27898594) has the molecular formula C17H14F3NO4 and a molecular weight of 353.30 g/mol. Its IUPAC name is benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate
PubChem CID27898594
Molecular FormulaC17H14F3NO4
Molecular Weight353.30 g/mol
Exact Mass353.09
IUPAC Namebenzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate
SMILESO=C(CNC(=O)c1ccc(OC(F)(F)F)cc1)OCc1ccccc1
InChIInChI=1S/C17H14F3NO4/c18-17(19,20)25-14-8-6-13(7-9-14)16(23)21-10-15(22)24-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,23)
InChIKeyKOHIDAUGOXMISW-UHFFFAOYSA-N
XLogP3.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate
CID 30581064
benzyl 2-benzamidoacetate;ethane
CID 142836612
benzyl 4-(trifluoromethoxy)benzoate
CID 138483399
benzyl 3-[4-(trifluoromethoxy)phenyl]propanoate
CID 145346373
(4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 16578596
benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 24643690
benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate
CID 27711366
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882
[3-(trifluoromethyl)phenyl]methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35661532
benzyl 2-[(3-phenoxybenzoyl)amino]acetate
CID 7980431
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide
CID 46475730

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate?
The IUPAC name of benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate (CID 27898594) is benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate?
The canonical SMILES for benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate is O=C(CNC(=O)c1ccc(OC(F)(F)F)cc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate?
The InChIKey is KOHIDAUGOXMISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO4/c18-17(19,20)25-14-8-6-13(7-9-14)16(23)21-10-15(22)24-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,23).
What are the key properties of benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate?
benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate has a molecular weight of 353.30 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate is sourced from PubChem (CID 27898594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).