methyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate

C23H19F3N2O4 — CID 24532609

IUPACmethyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1
InChIInChI=1S/C23H19F3N2O4/c1-31-21(29)13-19(15-5-3-2-4-6-15)28-22(30)16-7-10-18(11-8-16)32-20-12-9-17(14-27-20)23(24,25)26/h2-12,14,19H,13H2,1H3,(H,28,30)
InChIKeyOYSWJMBPKAQOQD-UHFFFAOYSA-N
MW444.41 g/mol
LogP4.93
Rot. Bonds7

About methyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate

methyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate (PubChem CID 24532609) has the molecular formula C23H19F3N2O4 and a molecular weight of 444.41 g/mol. Its IUPAC name is methyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
PubChem CID24532609
Molecular FormulaC23H19F3N2O4
Molecular Weight444.41 g/mol
Exact Mass444.13
IUPAC Namemethyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1
InChIInChI=1S/C23H19F3N2O4/c1-31-21(29)13-19(15-5-3-2-4-6-15)28-22(30)16-7-10-18(11-8-16)32-20-12-9-17(14-27-20)23(24,25)26/h2-12,14,19H,13H2,1H3,(H,28,30)
InChIKeyOYSWJMBPKAQOQD-UHFFFAOYSA-N
XLogP4.93
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-benzamido-3-[4-(trifluoromethyl)phenyl]propanoate
CID 18797714
methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate
CID 69400035
methyl 3-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoate
CID 46637564
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate
CID 139703755
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
methyl (3S)-3-(4-fluorophenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 52733979
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
methyl (2S)-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 11180979
methyl 3-(4-acetylphenyl)-3-benzamidopropanoate
CID 18797721

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate?
The IUPAC name of methyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate (CID 24532609) is methyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate is COC(=O)CC(NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1.
What is the InChIKey of methyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate?
The InChIKey is OYSWJMBPKAQOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O4/c1-31-21(29)13-19(15-5-3-2-4-6-15)28-22(30)16-7-10-18(11-8-16)32-20-12-9-17(14-27-20)23(24,25)26/h2-12,14,19H,13H2,1H3,(H,28,30).
What are the key properties of methyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate?
methyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate has a molecular weight of 444.41 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate is sourced from PubChem (CID 24532609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).