(2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]oxolane-2-carboxamide

C21H21FN2O2 — CID 70753788

IUPAC(2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]oxolane-2-carboxamide
SMILESCc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)[C@@H]3CCCO3)cc12
InChIInChI=1S/C21H21FN2O2/c1-13-17-11-14(12-23-21(25)19-3-2-10-26-19)4-9-18(17)24-20(13)15-5-7-16(22)8-6-15/h4-9,11,19,24H,2-3,10,12H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyZYKJZZDKXVUIGT-IBGZPJMESA-N
MW352.41 g/mol
LogP4.08
Rot. Bonds4

About (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]oxolane-2-carboxamide

(2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]oxolane-2-carboxamide (PubChem CID 70753788) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]oxolane-2-carboxamide
PubChem CID70753788
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name(2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]oxolane-2-carboxamide
SMILESCc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)[C@@H]3CCCO3)cc12
InChIInChI=1S/C21H21FN2O2/c1-13-17-11-14(12-23-21(25)19-3-2-10-26-19)4-9-18(17)24-20(13)15-5-7-16(22)8-6-15/h4-9,11,19,24H,2-3,10,12H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyZYKJZZDKXVUIGT-IBGZPJMESA-N
XLogP4.08
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]oxolane-2-carboxamide (CID 70753788) is (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]oxolane-2-carboxamide is Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)[C@@H]3CCCO3)cc12.
What is the InChIKey of (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]oxolane-2-carboxamide?
The InChIKey is ZYKJZZDKXVUIGT-IBGZPJMESA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-13-17-11-14(12-23-21(25)19-3-2-10-26-19)4-9-18(17)24-20(13)15-5-7-16(22)8-6-15/h4-9,11,19,24H,2-3,10,12H2,1H3,(H,23,25)/t19-/m0/s1.
What are the key properties of (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]oxolane-2-carboxamide?
(2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]oxolane-2-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 70753788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).