2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate

C19H18F3NO4 — CID 7880382

IUPAC2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
SMILESCc1cccc(OCCOC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H18F3NO4/c1-13-3-2-4-16(11-13)26-9-10-27-17(24)12-23-18(25)14-5-7-15(8-6-14)19(20,21)22/h2-8,11H,9-10,12H2,1H3,(H,23,25)
InChIKeyXYBWYANKKMQKJE-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.37
Rot. Bonds7

About 2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate

2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate (PubChem CID 7880382) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
PubChem CID7880382
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
SMILESCc1cccc(OCCOC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H18F3NO4/c1-13-3-2-4-16(11-13)26-9-10-27-17(24)12-23-18(25)14-5-7-15(8-6-14)19(20,21)22/h2-8,11H,9-10,12H2,1H3,(H,23,25)
InChIKeyXYBWYANKKMQKJE-UHFFFAOYSA-N
XLogP3.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662514
2-(3-methylphenoxy)ethyl 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 42965613
2-(3-methylphenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899388
4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate
CID 2407342
(3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate
CID 110670410
2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807719
2-(3-bromophenoxy)ethyl 2-[(4-chlorobenzoyl)amino]acetate
CID 2492843
N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 142629548
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate
CID 70795612

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The IUPAC name of 2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate (CID 7880382) is 2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate.
What is the SMILES notation for 2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The canonical SMILES for 2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate is Cc1cccc(OCCOC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The InChIKey is XYBWYANKKMQKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-13-3-2-4-16(11-13)26-9-10-27-17(24)12-23-18(25)14-5-7-15(8-6-14)19(20,21)22/h2-8,11H,9-10,12H2,1H3,(H,23,25).
What are the key properties of 2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate has a molecular weight of 381.35 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate is sourced from PubChem (CID 7880382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).