N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]oxolane-3-carboxamide

C17H21FN2O2 — CID 56871996

IUPACN-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]oxolane-3-carboxamide
SMILESCCc1[nH]c2c(CNC(=O)C3CCOC3)cc(F)cc2c1C
InChIInChI=1S/C17H21FN2O2/c1-3-15-10(2)14-7-13(18)6-12(16(14)20-15)8-19-17(21)11-4-5-22-9-11/h6-7,11,20H,3-5,8-9H2,1-2H3,(H,19,21)
InChIKeyBDLBHMGVOLROTG-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.83
Rot. Bonds4

About N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]oxolane-3-carboxamide

N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]oxolane-3-carboxamide (PubChem CID 56871996) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]oxolane-3-carboxamide
PubChem CID56871996
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC NameN-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]oxolane-3-carboxamide
SMILESCCc1[nH]c2c(CNC(=O)C3CCOC3)cc(F)cc2c1C
InChIInChI=1S/C17H21FN2O2/c1-3-15-10(2)14-7-13(18)6-12(16(14)20-15)8-19-17(21)11-4-5-22-9-11/h6-7,11,20H,3-5,8-9H2,1-2H3,(H,19,21)
InChIKeyBDLBHMGVOLROTG-UHFFFAOYSA-N
XLogP2.83
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]oxolane-3-carboxamide (CID 56871996) is N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]oxolane-3-carboxamide is CCc1[nH]c2c(CNC(=O)C3CCOC3)cc(F)cc2c1C.
What is the InChIKey of N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]oxolane-3-carboxamide?
The InChIKey is BDLBHMGVOLROTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-3-15-10(2)14-7-13(18)6-12(16(14)20-15)8-19-17(21)11-4-5-22-9-11/h6-7,11,20H,3-5,8-9H2,1-2H3,(H,19,21).
What are the key properties of N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]oxolane-3-carboxamide?
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]oxolane-3-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 56871996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).