CID 58197669

C17H19FN2O3 — CID 58197669

IUPAC—
SMILESCOC1CCC2(CC1)Cc1c(F)cccc1C21NC(=O)NC1=O
InChIInChI=1S/C17H19FN2O3/c1-23-10-5-7-16(8-6-10)9-11-12(3-2-4-13(11)18)17(16)14(21)19-15(22)20-17/h2-4,10H,5-9H2,1H3,(H2,19,20,21,22)
InChIKeyFDEBKARDCIRJEN-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.99
Rot. Bonds1

About CID 58197669

CID 58197669 (PubChem CID 58197669) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol.

Molecular Properties

Compound NameCID 58197669
PubChem CID58197669
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1c(F)cccc1C21NC(=O)NC1=O
InChIInChI=1S/C17H19FN2O3/c1-23-10-5-7-16(8-6-10)9-11-12(3-2-4-13(11)18)17(16)14(21)19-15(22)20-17/h2-4,10H,5-9H2,1H3,(H2,19,20,21,22)
InChIKeyFDEBKARDCIRJEN-UHFFFAOYSA-N
XLogP1.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58197669?
The IUPAC name of CID 58197669 (CID 58197669) is not available.
What is the SMILES notation for CID 58197669?
The canonical SMILES for CID 58197669 is COC1CCC2(CC1)Cc1c(F)cccc1C21NC(=O)NC1=O.
What is the InChIKey of CID 58197669?
The InChIKey is FDEBKARDCIRJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-23-10-5-7-16(8-6-10)9-11-12(3-2-4-13(11)18)17(16)14(21)19-15(22)20-17/h2-4,10H,5-9H2,1H3,(H2,19,20,21,22).
What are the key properties of CID 58197669?
CID 58197669 has a molecular weight of 318.35 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197669 is sourced from PubChem (CID 58197669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).