[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate

C19H18F3NO4 — CID 7853946

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
SMILESCc1cccc(NC(=O)COC(=O)COc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C19H18F3NO4/c1-12-5-3-8-16(13(12)2)23-17(24)10-27-18(25)11-26-15-7-4-6-14(9-15)19(20,21)22/h3-9H,10-11H2,1-2H3,(H,23,24)
InChIKeyLPCFCLQUNATWAY-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.88
Rot. Bonds6

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

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate (PubChem CID 7853946) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
PubChem CID7853946
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
SMILESCc1cccc(NC(=O)COC(=O)COc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C19H18F3NO4/c1-12-5-3-8-16(13(12)2)23-17(24)10-27-18(25)11-26-15-7-4-6-14(9-15)19(20,21)22/h3-9H,10-11H2,1-2H3,(H,23,24)
InChIKeyLPCFCLQUNATWAY-UHFFFAOYSA-N
XLogP3.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915200
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853960
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855530
[2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853890
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140402
N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9393928
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4801499
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 8912726
N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 7980515
ethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate
CID 100757931
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 8912438
2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 46741581

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate (CID 7853946) is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate is Cc1cccc(NC(=O)COC(=O)COc2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate?
The InChIKey is LPCFCLQUNATWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-12-5-3-8-16(13(12)2)23-17(24)10-27-18(25)11-26-15-7-4-6-14(9-15)19(20,21)22/h3-9H,10-11H2,1-2H3,(H,23,24).
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate?
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate has a molecular weight of 381.35 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate is sourced from PubChem (CID 7853946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).