CID 92508900

C25H31FN2O6 — CID 92508900

IUPAC—
SMILESO=C(N/N=C\c1ccccc1F)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]21
InChIInChI=1S/C25H31FN2O6/c26-17-10-4-3-9-16(17)15-27-28-22(29)20-18-19(32-24(31-18)11-5-1-6-12-24)21-23(30-20)34-25(33-21)13-7-2-8-14-25/h3-4,9-10,15,18-21,23H,1-2,5-8,11-14H2,(H,28,29)/b27-15-/t18-,19+,20+,21+,23+/m0/s1
InChIKeyGPGJEJUNCOOXHD-RESMUOTISA-N
MW474.53 g/mol
LogP3.52
Rot. Bonds3

About CID 92508900

CID 92508900 (PubChem CID 92508900) has the molecular formula C25H31FN2O6 and a molecular weight of 474.53 g/mol.

Molecular Properties

Compound NameCID 92508900
PubChem CID92508900
Molecular FormulaC25H31FN2O6
Molecular Weight474.53 g/mol
Exact Mass474.22
IUPAC Name—
SMILESO=C(N/N=C\c1ccccc1F)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]21
InChIInChI=1S/C25H31FN2O6/c26-17-10-4-3-9-16(17)15-27-28-22(29)20-18-19(32-24(31-18)11-5-1-6-12-24)21-23(30-20)34-25(33-21)13-7-2-8-14-25/h3-4,9-10,15,18-21,23H,1-2,5-8,11-14H2,(H,28,29)/b27-15-/t18-,19+,20+,21+,23+/m0/s1
InChIKeyGPGJEJUNCOOXHD-RESMUOTISA-N
XLogP3.52
TPSA87.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 124769108
N-(benzylideneamino)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
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CID 124775567
CID 124775567
CID 51425332
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(3S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 5400632
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CID 98399642
CID 98399642
N-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide
CID 46495519
trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide
CID 6542599
(3S,4R)-N-[(2-fluorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 869612
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160

Frequently Asked Questions

What is the IUPAC name of CID 92508900?
The IUPAC name of CID 92508900 (CID 92508900) is not available.
What is the SMILES notation for CID 92508900?
The canonical SMILES for CID 92508900 is O=C(N/N=C\c1ccccc1F)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]21.
What is the InChIKey of CID 92508900?
The InChIKey is GPGJEJUNCOOXHD-RESMUOTISA-N. The full InChI is InChI=1S/C25H31FN2O6/c26-17-10-4-3-9-16(17)15-27-28-22(29)20-18-19(32-24(31-18)11-5-1-6-12-24)21-23(30-20)34-25(33-21)13-7-2-8-14-25/h3-4,9-10,15,18-21,23H,1-2,5-8,11-14H2,(H,28,29)/b27-15-/t18-,19+,20+,21+,23+/m0/s1.
What are the key properties of CID 92508900?
CID 92508900 has a molecular weight of 474.53 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 92508900 is sourced from PubChem (CID 92508900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).