[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]benzoate

C19H17F3N2O5 — CID 7835862

IUPAC[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O5/c1-28-13-8-6-12(7-9-13)17(26)24-15-5-3-2-4-14(15)18(27)29-10-16(25)23-11-19(20,21)22/h2-9H,10-11H2,1H3,(H,23,25)(H,24,26)
InChIKeySWPZQCZYXQBHNP-UHFFFAOYSA-N
MW410.35 g/mol
LogP2.78
Rot. Bonds7

About [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]benzoate

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]benzoate (PubChem CID 7835862) has the molecular formula C19H17F3N2O5 and a molecular weight of 410.35 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]benzoate
PubChem CID7835862
Molecular FormulaC19H17F3N2O5
Molecular Weight410.35 g/mol
Exact Mass410.11
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O5/c1-28-13-8-6-12(7-9-13)17(26)24-15-5-3-2-4-14(15)18(27)29-10-16(25)23-11-19(20,21)22/h2-9H,10-11H2,1H3,(H,23,25)(H,24,26)
InChIKeySWPZQCZYXQBHNP-UHFFFAOYSA-N
XLogP2.78
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(methylamino)benzoate
CID 2542769
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]benzoate
CID 7835922
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2128183
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,4-dimethoxybenzoate
CID 2436819
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3641947
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] naphthalene-1-carboxylate
CID 2445194
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
[amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium
CID 4524744
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221116
[2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 1217734
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 30400735

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]benzoate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]benzoate (CID 7835862) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]benzoate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]benzoate is COc1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)NCC(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]benzoate?
The InChIKey is SWPZQCZYXQBHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O5/c1-28-13-8-6-12(7-9-13)17(26)24-15-5-3-2-4-14(15)18(27)29-10-16(25)23-11-19(20,21)22/h2-9H,10-11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]benzoate?
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]benzoate has a molecular weight of 410.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 7835862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).