methyl 2-amino-3-[4-[4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate

C26H23F3N2O4 — CID 11858063

IUPACmethyl 2-amino-3-[4-[4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(Oc2ccc(CC3C(=O)Nc4ccccc43)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C26H23F3N2O4/c1-34-25(33)22(30)12-15-6-9-17(10-7-15)35-18-11-8-16(21(14-18)26(27,28)29)13-20-19-4-2-3-5-23(19)31-24(20)32/h2-11,14,20,22H,12-13,30H2,1H3,(H,31,32)
InChIKeyZXGBTYJCUDOFPJ-UHFFFAOYSA-N
MW484.47 g/mol
LogP4.82
Rot. Bonds7

About methyl 2-amino-3-[4-[4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate

methyl 2-amino-3-[4-[4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate (PubChem CID 11858063) has the molecular formula C26H23F3N2O4 and a molecular weight of 484.47 g/mol. Its IUPAC name is methyl 2-amino-3-[4-[4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[4-[4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate
PubChem CID11858063
Molecular FormulaC26H23F3N2O4
Molecular Weight484.47 g/mol
Exact Mass484.16
IUPAC Namemethyl 2-amino-3-[4-[4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(Oc2ccc(CC3C(=O)Nc4ccccc43)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C26H23F3N2O4/c1-34-25(33)22(30)12-15-6-9-17(10-7-15)35-18-11-8-16(21(14-18)26(27,28)29)13-20-19-4-2-3-5-23(19)31-24(20)32/h2-11,14,20,22H,12-13,30H2,1H3,(H,31,32)
InChIKeyZXGBTYJCUDOFPJ-UHFFFAOYSA-N
XLogP4.82
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-amino-3-[4-[4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate with MolForge

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Related Compounds

methyl (2R)-2-amino-3-[4-[4-[(2-oxo-1H-indol-3-ylidene)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate
CID 91368033
methyl (2S)-2-(chloroamino)-3-[4-[4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate
CID 89191675
methyl 2-amino-3-[4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-2-methylphenyl]propanoate
CID 10047414
methyl 2-amino-3-[4-[4-(1,3-thiazol-5-ylmethyl)phenoxy]-2-(trifluoromethyl)phenyl]propanoate
CID 141095929
methyl 2-amino-3-[4-[4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)methyl]phenoxy]phenyl]propanoate
CID 11625848
methyl 2-amino-3-[4-[2-(trifluoromethyl)phenyl]phenyl]propanoate
CID 170883863
methyl (2S)-2-amino-3-[4-methoxy-3-(trifluoromethyl)phenyl]propanoate
CID 95931969
methyl (2S)-2-amino-3-[4-[3-chloro-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]propanoate
CID 25217533
methyl (2S)-2-amino-3-[4-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(trifluoromethyl)phenoxy]phenyl]propanoate
CID 11685006
(3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367123
methyl (2R)-2-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]propanoate
CID 171238216
methyl (2S)-2-amino-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate
CID 66719771

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[4-[4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate?
The IUPAC name of methyl 2-amino-3-[4-[4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate (CID 11858063) is methyl 2-amino-3-[4-[4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[4-[4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate?
The canonical SMILES for methyl 2-amino-3-[4-[4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate is COC(=O)C(N)Cc1ccc(Oc2ccc(CC3C(=O)Nc4ccccc43)c(C(F)(F)F)c2)cc1.
What is the InChIKey of methyl 2-amino-3-[4-[4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate?
The InChIKey is ZXGBTYJCUDOFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O4/c1-34-25(33)22(30)12-15-6-9-17(10-7-15)35-18-11-8-16(21(14-18)26(27,28)29)13-20-19-4-2-3-5-23(19)31-24(20)32/h2-11,14,20,22H,12-13,30H2,1H3,(H,31,32).
What are the key properties of methyl 2-amino-3-[4-[4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate?
methyl 2-amino-3-[4-[4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate has a molecular weight of 484.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[4-[4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-(trifluoromethyl)phenoxy]phenyl]propanoate is sourced from PubChem (CID 11858063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).