[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate

C19H18F3NO3 — CID 71820618

IUPAC[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)NCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H18F3NO3/c1-2-13-7-9-14(10-8-13)18(25)26-12-17(24)23-11-15-5-3-4-6-16(15)19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,24)
InChIKeyGKNZCKBYEPTWBC-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.74
Rot. Bonds6

About [2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate

[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate (PubChem CID 71820618) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is [2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate
PubChem CID71820618
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)NCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H18F3NO3/c1-2-13-7-9-14(10-8-13)18(25)26-12-17(24)23-11-15-5-3-4-6-16(15)19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,24)
InChIKeyGKNZCKBYEPTWBC-UHFFFAOYSA-N
XLogP3.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 1,3-benzodioxole-5-carboxylate
CID 71820680
[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate
CID 50929609
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 9230111
2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112686778
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate
CID 9230124
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] benzoate
CID 2517299
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 9230095
2-(ethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55129029
[2-[(2-bromophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate
CID 71820721
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
[2-(benzylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2353376

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate?
The IUPAC name of [2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate (CID 71820618) is [2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate.
What is the SMILES notation for [2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate?
The canonical SMILES for [2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate is CCc1ccc(C(=O)OCC(=O)NCc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate?
The InChIKey is GKNZCKBYEPTWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-2-13-7-9-14(10-8-13)18(25)26-12-17(24)23-11-15-5-3-4-6-16(15)19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,24).
What are the key properties of [2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate?
[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate has a molecular weight of 365.35 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate is sourced from PubChem (CID 71820618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).