methyl (2R)-3-phenyl-2-[2-[(2,2,2-trifluoroacetyl)amino]anilino]propanoate

C18H17F3N2O3 — CID 139263980

IUPACmethyl (2R)-3-phenyl-2-[2-[(2,2,2-trifluoroacetyl)amino]anilino]propanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)Nc1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C18H17F3N2O3/c1-26-16(24)15(11-12-7-3-2-4-8-12)22-13-9-5-6-10-14(13)23-17(25)18(19,20)21/h2-10,15,22H,11H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyLQDRIPZNZOKEMI-OAHLLOKOSA-N
MW366.34 g/mol
LogP3.38
Rot. Bonds6

About methyl (2R)-3-phenyl-2-[2-[(2,2,2-trifluoroacetyl)amino]anilino]propanoate

methyl (2R)-3-phenyl-2-[2-[(2,2,2-trifluoroacetyl)amino]anilino]propanoate (PubChem CID 139263980) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is methyl (2R)-3-phenyl-2-[2-[(2,2,2-trifluoroacetyl)amino]anilino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-phenyl-2-[2-[(2,2,2-trifluoroacetyl)amino]anilino]propanoate
PubChem CID139263980
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Namemethyl (2R)-3-phenyl-2-[2-[(2,2,2-trifluoroacetyl)amino]anilino]propanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)Nc1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C18H17F3N2O3/c1-26-16(24)15(11-12-7-3-2-4-8-12)22-13-9-5-6-10-14(13)23-17(25)18(19,20)21/h2-10,15,22H,11H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyLQDRIPZNZOKEMI-OAHLLOKOSA-N
XLogP3.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-phenyl-2-[2-[(2,2,2-trifluoroacetyl)amino]anilino]propanoate?
The IUPAC name of methyl (2R)-3-phenyl-2-[2-[(2,2,2-trifluoroacetyl)amino]anilino]propanoate (CID 139263980) is methyl (2R)-3-phenyl-2-[2-[(2,2,2-trifluoroacetyl)amino]anilino]propanoate.
What is the SMILES notation for methyl (2R)-3-phenyl-2-[2-[(2,2,2-trifluoroacetyl)amino]anilino]propanoate?
The canonical SMILES for methyl (2R)-3-phenyl-2-[2-[(2,2,2-trifluoroacetyl)amino]anilino]propanoate is COC(=O)[C@@H](Cc1ccccc1)Nc1ccccc1NC(=O)C(F)(F)F.
What is the InChIKey of methyl (2R)-3-phenyl-2-[2-[(2,2,2-trifluoroacetyl)amino]anilino]propanoate?
The InChIKey is LQDRIPZNZOKEMI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-26-16(24)15(11-12-7-3-2-4-8-12)22-13-9-5-6-10-14(13)23-17(25)18(19,20)21/h2-10,15,22H,11H2,1H3,(H,23,25)/t15-/m1/s1.
What are the key properties of methyl (2R)-3-phenyl-2-[2-[(2,2,2-trifluoroacetyl)amino]anilino]propanoate?
methyl (2R)-3-phenyl-2-[2-[(2,2,2-trifluoroacetyl)amino]anilino]propanoate has a molecular weight of 366.34 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-phenyl-2-[2-[(2,2,2-trifluoroacetyl)amino]anilino]propanoate is sourced from PubChem (CID 139263980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).