[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate

C19H18F3NO3 — CID 50929609

IUPAC[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)NCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H18F3NO3/c1-2-13-6-8-15(9-7-13)18(25)26-12-17(24)23-11-14-4-3-5-16(10-14)19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,24)
InChIKeyDZGSCMZKYMQDLZ-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.74
Rot. Bonds6

About [2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate

[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate (PubChem CID 50929609) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is [2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate
PubChem CID50929609
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)NCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H18F3NO3/c1-2-13-6-8-15(9-7-13)18(25)26-12-17(24)23-11-14-4-3-5-16(10-14)19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,24)
InChIKeyDZGSCMZKYMQDLZ-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-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-chlorobenzoate
CID 46860400
[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 2-methylbenzoate
CID 46860424
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504270
[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 3-methylthiophene-2-carboxylate
CID 50929627
[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate
CID 71820618
2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 79463391
[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl] 3,4-dimethylbenzoate
CID 50929593
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 63411308
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate
CID 16525993
[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl] 3,5-dimethoxybenzoate
CID 50929520
[2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860529

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate?
The IUPAC name of [2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate (CID 50929609) is [2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate.
What is the SMILES notation for [2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate?
The canonical SMILES for [2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate is CCc1ccc(C(=O)OCC(=O)NCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of [2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate?
The InChIKey is DZGSCMZKYMQDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-2-13-6-8-15(9-7-13)18(25)26-12-17(24)23-11-14-4-3-5-16(10-14)19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,24).
What are the key properties of [2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate?
[2-oxo-2-[[3-(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-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate is sourced from PubChem (CID 50929609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).