(2R)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-2-carboxamide

C19H25FN2O3 — CID 97401212

IUPAC(2R)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C1(CCOCC1)CN2CCF)[C@H]1CCCO1
InChIInChI=1S/C19H25FN2O3/c20-7-8-22-13-19(5-10-24-11-6-19)15-12-14(3-4-16(15)22)21-18(23)17-2-1-9-25-17/h3-4,12,17H,1-2,5-11,13H2,(H,21,23)/t17-/m1/s1
InChIKeyDNIIZBWUANLETD-QGZVFWFLSA-N
MW348.42 g/mol
LogP2.64
Rot. Bonds4

About (2R)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-2-carboxamide

(2R)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-2-carboxamide (PubChem CID 97401212) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is (2R)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-2-carboxamide
PubChem CID97401212
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name(2R)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C1(CCOCC1)CN2CCF)[C@H]1CCCO1
InChIInChI=1S/C19H25FN2O3/c20-7-8-22-13-19(5-10-24-11-6-19)15-12-14(3-4-16(15)22)21-18(23)17-2-1-9-25-17/h3-4,12,17H,1-2,5-11,13H2,(H,21,23)/t17-/m1/s1
InChIKeyDNIIZBWUANLETD-QGZVFWFLSA-N
XLogP2.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-2-carboxamide (CID 97401212) is (2R)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-2-carboxamide is O=C(Nc1ccc2c(c1)C1(CCOCC1)CN2CCF)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-2-carboxamide?
The InChIKey is DNIIZBWUANLETD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25FN2O3/c20-7-8-22-13-19(5-10-24-11-6-19)15-12-14(3-4-16(15)22)21-18(23)17-2-1-9-25-17/h3-4,12,17H,1-2,5-11,13H2,(H,21,23)/t17-/m1/s1.
What are the key properties of (2R)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-2-carboxamide?
(2R)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-2-carboxamide is sourced from PubChem (CID 97401212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).