[(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone

C23H27FN2O — CID 70909466

IUPAC[(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
SMILESCC1Cc2cc(C(=O)N3[C@@H](CCc4ccc(F)cc4)CC[C@H]3C)ccc2N1
InChIInChI=1S/C23H27FN2O/c1-15-13-19-14-18(7-12-22(19)25-15)23(27)26-16(2)3-10-21(26)11-6-17-4-8-20(24)9-5-17/h4-5,7-9,12,14-16,21,25H,3,6,10-11,13H2,1-2H3/t15?,16-,21-/m1/s1
InChIKeyDPSSCKAWHILSHZ-VWDLYUFVSA-N
MW366.48 g/mol
LogP4.81
Rot. Bonds4

About [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone

[(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone (PubChem CID 70909466) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
PubChem CID70909466
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name[(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
SMILESCC1Cc2cc(C(=O)N3[C@@H](CCc4ccc(F)cc4)CC[C@H]3C)ccc2N1
InChIInChI=1S/C23H27FN2O/c1-15-13-19-14-18(7-12-22(19)25-15)23(27)26-16(2)3-10-21(26)11-6-17-4-8-20(24)9-5-17/h4-5,7-9,12,14-16,21,25H,3,6,10-11,13H2,1-2H3/t15?,16-,21-/m1/s1
InChIKeyDPSSCKAWHILSHZ-VWDLYUFVSA-N
XLogP4.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone?
The IUPAC name of [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone (CID 70909466) is [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone.
What is the SMILES notation for [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone?
The canonical SMILES for [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone is CC1Cc2cc(C(=O)N3[C@@H](CCc4ccc(F)cc4)CC[C@H]3C)ccc2N1.
What is the InChIKey of [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone?
The InChIKey is DPSSCKAWHILSHZ-VWDLYUFVSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-15-13-19-14-18(7-12-22(19)25-15)23(27)26-16(2)3-10-21(26)11-6-17-4-8-20(24)9-5-17/h4-5,7-9,12,14-16,21,25H,3,6,10-11,13H2,1-2H3/t15?,16-,21-/m1/s1.
What are the key properties of [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone?
[(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone has a molecular weight of 366.48 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone is sourced from PubChem (CID 70909466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).