[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate

C24H17ClF4N2O4 — CID 5036272

IUPAC[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1
InChIInChI=1S/C24H17ClF4N2O4/c25-17-11-10-15(24(27,28)29)12-19(17)31-23(34)21(14-6-2-1-3-7-14)35-20(32)13-30-22(33)16-8-4-5-9-18(16)26/h1-12,21H,13H2,(H,30,33)(H,31,34)
InChIKeyLJBBCDOEJSNWEZ-UHFFFAOYSA-N
MW508.86 g/mol
LogP5.15
Rot. Bonds7

About [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 5036272) has the molecular formula C24H17ClF4N2O4 and a molecular weight of 508.86 g/mol. Its IUPAC name is [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID5036272
Molecular FormulaC24H17ClF4N2O4
Molecular Weight508.86 g/mol
Exact Mass508.08
IUPAC Name[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1
InChIInChI=1S/C24H17ClF4N2O4/c25-17-11-10-15(24(27,28)29)12-19(17)31-23(34)21(14-6-2-1-3-7-14)35-20(32)13-30-22(33)16-8-4-5-9-18(16)26/h1-12,21H,13H2,(H,30,33)(H,31,34)
InChIKeyLJBBCDOEJSNWEZ-UHFFFAOYSA-N
XLogP5.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.86
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2390717
2-chloro-6-fluorobenzyl N-[4-(acetylamino)benzoyl]glycinate
CID 1293777
2-[(2-Chlorophenyl)amino]-2-oxoethyl 3-(dimethylamino)benzoate
CID 2350074
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2489658
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 2945961
[2-[Benzyl(methyl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 4141016
[2-[2-Chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] butanoate
CID 4254856
[2-[4-Chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 3-(dimethylamino)benzoate
CID 4389754
2-(2-Chloro-5-(trifluoromethyl)phenylamino)-2-oxo-1-phenylethyl 2-(3-methyl-4-nitrobenzamido)acetate
CID 4437145
2-(2-Chloro-5-(trifluoromethyl)phenylamino)-2-oxo-1-phenylethyl 2-benzamidoacetate
CID 4438641
[2-(3-Chloro-4-methylanilino)-2-oxo-1-phenylethyl] 4-fluorobenzoate
CID 4841482
[2-[2-[[2-(3-Amino-4-chlorobenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 16281985

Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 5036272) is [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccccc1F)OC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1.
What is the InChIKey of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is LJBBCDOEJSNWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF4N2O4/c25-17-11-10-15(24(27,28)29)12-19(17)31-23(34)21(14-6-2-1-3-7-14)35-20(32)13-30-22(33)16-8-4-5-9-18(16)26/h1-12,21H,13H2,(H,30,33)(H,31,34).
What are the key properties of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 508.86 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 5036272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).