[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate

C20H19F3N2O4 — CID 7880467

IUPAC[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C20H19F3N2O4/c1-13(19(28)25(2)16-6-4-3-5-7-16)29-17(26)12-24-18(27)14-8-10-15(11-9-14)20(21,22)23/h3-11,13H,12H2,1-2H3,(H,24,27)/t13-/m1/s1
InChIKeyKOBVMZRTOKXXCI-CYBMUJFWSA-N
MW408.38 g/mol
LogP3.03
Rot. Bonds6

About [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate

[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate (PubChem CID 7880467) has the molecular formula C20H19F3N2O4 and a molecular weight of 408.38 g/mol. Its IUPAC name is [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
PubChem CID7880467
Molecular FormulaC20H19F3N2O4
Molecular Weight408.38 g/mol
Exact Mass408.13
IUPAC Name[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C20H19F3N2O4/c1-13(19(28)25(2)16-6-4-3-5-7-16)29-17(26)12-24-18(27)14-8-10-15(11-9-14)20(21,22)23/h3-11,13H,12H2,1-2H3,(H,24,27)/t13-/m1/s1
InChIKeyKOBVMZRTOKXXCI-CYBMUJFWSA-N
XLogP3.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 2625448
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885174
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602068
[1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307491
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783257
[1-(N-methylanilino)-1-oxopropan-2-yl] 3,5-bis(trifluoromethyl)benzoate
CID 55314334
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783210
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 46791659
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921301
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 42978956
N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 155676275
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880432

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The IUPAC name of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate (CID 7880467) is [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate.
What is the SMILES notation for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The canonical SMILES for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate is C[C@@H](OC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The InChIKey is KOBVMZRTOKXXCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19F3N2O4/c1-13(19(28)25(2)16-6-4-3-5-7-16)29-17(26)12-24-18(27)14-8-10-15(11-9-14)20(21,22)23/h3-11,13H,12H2,1-2H3,(H,24,27)/t13-/m1/s1.
What are the key properties of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate has a molecular weight of 408.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate is sourced from PubChem (CID 7880467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).