methyl 2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-6-carboxylate

C18H14F3NO3 — CID 25216353

IUPACmethyl 2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)C2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3NO3/c1-25-17(24)11-5-6-13-14(16(23)22-15(13)9-11)8-10-3-2-4-12(7-10)18(19,20)21/h2-7,9,14H,8H2,1H3,(H,22,23)
InChIKeyBPVKMHGASMBHFO-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.77
Rot. Bonds3

About methyl 2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-6-carboxylate

methyl 2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-6-carboxylate (PubChem CID 25216353) has the molecular formula C18H14F3NO3 and a molecular weight of 349.31 g/mol. Its IUPAC name is methyl 2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-6-carboxylate
PubChem CID25216353
Molecular FormulaC18H14F3NO3
Molecular Weight349.31 g/mol
Exact Mass349.09
IUPAC Namemethyl 2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)C2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3NO3/c1-25-17(24)11-5-6-13-14(16(23)22-15(13)9-11)8-10-3-2-4-12(7-10)18(19,20)21/h2-7,9,14H,8H2,1H3,(H,22,23)
InChIKeyBPVKMHGASMBHFO-UHFFFAOYSA-N
XLogP3.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-6-carboxylate?
The IUPAC name of methyl 2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-6-carboxylate (CID 25216353) is methyl 2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-6-carboxylate.
What is the SMILES notation for methyl 2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-6-carboxylate?
The canonical SMILES for methyl 2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-6-carboxylate is COC(=O)c1ccc2c(c1)NC(=O)C2Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl 2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-6-carboxylate?
The InChIKey is BPVKMHGASMBHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO3/c1-25-17(24)11-5-6-13-14(16(23)22-15(13)9-11)8-10-3-2-4-12(7-10)18(19,20)21/h2-7,9,14H,8H2,1H3,(H,22,23).
What are the key properties of methyl 2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-6-carboxylate?
methyl 2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-6-carboxylate has a molecular weight of 349.31 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-6-carboxylate is sourced from PubChem (CID 25216353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).