(3R)-1-methyl-3-(3-oxo-3-phenylpropyl)-3-pyrrol-1-yl-5-(trifluoromethoxy)indol-2-one

C23H19F3N2O3 — CID 177445570

IUPAC(3R)-1-methyl-3-(3-oxo-3-phenylpropyl)-3-pyrrol-1-yl-5-(trifluoromethoxy)indol-2-one
SMILESCN1C(=O)[C@](CCC(=O)c2ccccc2)(n2cccc2)c2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C23H19F3N2O3/c1-27-19-10-9-17(31-23(24,25)26)15-18(19)22(21(27)30,28-13-5-6-14-28)12-11-20(29)16-7-3-2-4-8-16/h2-10,13-15H,11-12H2,1H3/t22-/m1/s1
InChIKeyBGMFWSLLYJKXQO-JOCHJYFZSA-N
MW428.41 g/mol
LogP4.77
Rot. Bonds6

About (3R)-1-methyl-3-(3-oxo-3-phenylpropyl)-3-pyrrol-1-yl-5-(trifluoromethoxy)indol-2-one

(3R)-1-methyl-3-(3-oxo-3-phenylpropyl)-3-pyrrol-1-yl-5-(trifluoromethoxy)indol-2-one (PubChem CID 177445570) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is (3R)-1-methyl-3-(3-oxo-3-phenylpropyl)-3-pyrrol-1-yl-5-(trifluoromethoxy)indol-2-one.

Molecular Properties

Compound Name(3R)-1-methyl-3-(3-oxo-3-phenylpropyl)-3-pyrrol-1-yl-5-(trifluoromethoxy)indol-2-one
PubChem CID177445570
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name(3R)-1-methyl-3-(3-oxo-3-phenylpropyl)-3-pyrrol-1-yl-5-(trifluoromethoxy)indol-2-one
SMILESCN1C(=O)[C@](CCC(=O)c2ccccc2)(n2cccc2)c2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C23H19F3N2O3/c1-27-19-10-9-17(31-23(24,25)26)15-18(19)22(21(27)30,28-13-5-6-14-28)12-11-20(29)16-7-3-2-4-8-16/h2-10,13-15H,11-12H2,1H3/t22-/m1/s1
InChIKeyBGMFWSLLYJKXQO-JOCHJYFZSA-N
XLogP4.77
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-(3-oxo-3-phenylpropyl)-3-pyrrol-1-yl-5-(trifluoromethoxy)indol-2-one?
The IUPAC name of (3R)-1-methyl-3-(3-oxo-3-phenylpropyl)-3-pyrrol-1-yl-5-(trifluoromethoxy)indol-2-one (CID 177445570) is (3R)-1-methyl-3-(3-oxo-3-phenylpropyl)-3-pyrrol-1-yl-5-(trifluoromethoxy)indol-2-one.
What is the SMILES notation for (3R)-1-methyl-3-(3-oxo-3-phenylpropyl)-3-pyrrol-1-yl-5-(trifluoromethoxy)indol-2-one?
The canonical SMILES for (3R)-1-methyl-3-(3-oxo-3-phenylpropyl)-3-pyrrol-1-yl-5-(trifluoromethoxy)indol-2-one is CN1C(=O)[C@](CCC(=O)c2ccccc2)(n2cccc2)c2cc(OC(F)(F)F)ccc21.
What is the InChIKey of (3R)-1-methyl-3-(3-oxo-3-phenylpropyl)-3-pyrrol-1-yl-5-(trifluoromethoxy)indol-2-one?
The InChIKey is BGMFWSLLYJKXQO-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-27-19-10-9-17(31-23(24,25)26)15-18(19)22(21(27)30,28-13-5-6-14-28)12-11-20(29)16-7-3-2-4-8-16/h2-10,13-15H,11-12H2,1H3/t22-/m1/s1.
What are the key properties of (3R)-1-methyl-3-(3-oxo-3-phenylpropyl)-3-pyrrol-1-yl-5-(trifluoromethoxy)indol-2-one?
(3R)-1-methyl-3-(3-oxo-3-phenylpropyl)-3-pyrrol-1-yl-5-(trifluoromethoxy)indol-2-one has a molecular weight of 428.41 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-(3-oxo-3-phenylpropyl)-3-pyrrol-1-yl-5-(trifluoromethoxy)indol-2-one is sourced from PubChem (CID 177445570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).