CID 58197717

C22H22F2N2O2 — CID 58197717

IUPAC—
SMILESCN1C(=O)NC2(C1=O)c1cc(C#CC3CC3)ccc1CC21CCC(F)(F)CC1
InChIInChI=1S/C22H22F2N2O2/c1-26-18(27)22(25-19(26)28)17-12-15(5-4-14-2-3-14)6-7-16(17)13-20(22)8-10-21(23,24)11-9-20/h6-7,12,14H,2-3,8-11,13H2,1H3,(H,25,28)
InChIKeyOEFKBQZCPUPFJJ-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.58
Rot. Bonds

About CID 58197717

CID 58197717 (PubChem CID 58197717) has the molecular formula C22H22F2N2O2 and a molecular weight of 384.43 g/mol.

Molecular Properties

Compound NameCID 58197717
PubChem CID58197717
Molecular FormulaC22H22F2N2O2
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name—
SMILESCN1C(=O)NC2(C1=O)c1cc(C#CC3CC3)ccc1CC21CCC(F)(F)CC1
InChIInChI=1S/C22H22F2N2O2/c1-26-18(27)22(25-19(26)28)17-12-15(5-4-14-2-3-14)6-7-16(17)13-20(22)8-10-21(23,24)11-9-20/h6-7,12,14H,2-3,8-11,13H2,1H3,(H,25,28)
InChIKeyOEFKBQZCPUPFJJ-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58197717?
The IUPAC name of CID 58197717 (CID 58197717) is not available.
What is the SMILES notation for CID 58197717?
The canonical SMILES for CID 58197717 is CN1C(=O)NC2(C1=O)c1cc(C#CC3CC3)ccc1CC21CCC(F)(F)CC1.
What is the InChIKey of CID 58197717?
The InChIKey is OEFKBQZCPUPFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O2/c1-26-18(27)22(25-19(26)28)17-12-15(5-4-14-2-3-14)6-7-16(17)13-20(22)8-10-21(23,24)11-9-20/h6-7,12,14H,2-3,8-11,13H2,1H3,(H,25,28).
What are the key properties of CID 58197717?
CID 58197717 has a molecular weight of 384.43 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197717 is sourced from PubChem (CID 58197717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).