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

C19H18F3NO3 — CID 2078532

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESCc1cccc(NC(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C19H18F3NO3/c1-12-5-3-8-16(13(12)2)23-17(24)11-26-18(25)10-14-6-4-7-15(9-14)19(20,21)22/h3-9H,10-11H2,1-2H3,(H,23,24)
InChIKeyRSXFLSXJWZXJNQ-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.05
Rot. Bonds5

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

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate (PubChem CID 2078532) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
PubChem CID2078532
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESCc1cccc(NC(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C19H18F3NO3/c1-12-5-3-8-16(13(12)2)23-17(24)11-26-18(25)10-14-6-4-7-15(9-14)19(20,21)22/h3-9H,10-11H2,1-2H3,(H,23,24)
InChIKeyRSXFLSXJWZXJNQ-UHFFFAOYSA-N
XLogP4.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate (CID 2078532) is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate is Cc1cccc(NC(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The InChIKey is RSXFLSXJWZXJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-12-5-3-8-16(13(12)2)23-17(24)11-26-18(25)10-14-6-4-7-15(9-14)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)phenyl]acetate?
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate has a molecular weight of 365.35 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 2078532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).