[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate

C18H17F3N2O3 — CID 7953763

IUPAC[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)O[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c1-11(26-17(25)14-8-3-4-9-15(14)22-2)16(24)23-13-7-5-6-12(10-13)18(19,20)21/h3-11,22H,1-2H3,(H,23,24)/t11-/m1/s1
InChIKeyPCBRPZWOWZREPQ-LLVKDONJSA-N
MW366.34 g/mol
LogP3.93
Rot. Bonds5

About [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate

[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate (PubChem CID 7953763) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate
PubChem CID7953763
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)O[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c1-11(26-17(25)14-8-3-4-9-15(14)22-2)16(24)23-13-7-5-6-12(10-13)18(19,20)21/h3-11,22H,1-2H3,(H,23,24)/t11-/m1/s1
InChIKeyPCBRPZWOWZREPQ-LLVKDONJSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7953511
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 2367425
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 3-acetamidobenzoate
CID 2636888
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 1H-indole-3-carboxylate
CID 8606015
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 4842408
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 4-acetamidobenzoate
CID 3520377
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-methyl-3-nitrobenzoate
CID 8710068
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529889
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7670970
[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 1H-indole-2-carboxylate
CID 7723727
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 3-fluoro-4-methylbenzoate
CID 9386558

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate?
The IUPAC name of [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate (CID 7953763) is [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate.
What is the SMILES notation for [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate?
The canonical SMILES for [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate is CNc1ccccc1C(=O)O[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate?
The InChIKey is PCBRPZWOWZREPQ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-11(26-17(25)14-8-3-4-9-15(14)22-2)16(24)23-13-7-5-6-12(10-13)18(19,20)21/h3-11,22H,1-2H3,(H,23,24)/t11-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate?
[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate has a molecular weight of 366.34 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate is sourced from PubChem (CID 7953763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).