(2S)-1'-benzyl-5'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione

C19H14FNO3 — CID 102433401

IUPAC(2S)-1'-benzyl-5'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione
SMILESO=C1C=CO[C@]2(C1)C(=O)N(Cc1ccccc1)c1ccc(F)cc12
InChIInChI=1S/C19H14FNO3/c20-14-6-7-17-16(10-14)19(11-15(22)8-9-24-19)18(23)21(17)12-13-4-2-1-3-5-13/h1-10H,11-12H2/t19-/m0/s1
InChIKeyHSKRTWCXNFFGAX-IBGZPJMESA-N
MW323.32 g/mol
LogP3.07
Rot. Bonds2

About (2S)-1'-benzyl-5'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione

(2S)-1'-benzyl-5'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione (PubChem CID 102433401) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is (2S)-1'-benzyl-5'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2S)-1'-benzyl-5'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione
PubChem CID102433401
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name(2S)-1'-benzyl-5'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione
SMILESO=C1C=CO[C@]2(C1)C(=O)N(Cc1ccccc1)c1ccc(F)cc12
InChIInChI=1S/C19H14FNO3/c20-14-6-7-17-16(10-14)19(11-15(22)8-9-24-19)18(23)21(17)12-13-4-2-1-3-5-13/h1-10H,11-12H2/t19-/m0/s1
InChIKeyHSKRTWCXNFFGAX-IBGZPJMESA-N
XLogP3.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1'-benzyl-5'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione?
The IUPAC name of (2S)-1'-benzyl-5'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione (CID 102433401) is (2S)-1'-benzyl-5'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2S)-1'-benzyl-5'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione?
The canonical SMILES for (2S)-1'-benzyl-5'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione is O=C1C=CO[C@]2(C1)C(=O)N(Cc1ccccc1)c1ccc(F)cc12.
What is the InChIKey of (2S)-1'-benzyl-5'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione?
The InChIKey is HSKRTWCXNFFGAX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H14FNO3/c20-14-6-7-17-16(10-14)19(11-15(22)8-9-24-19)18(23)21(17)12-13-4-2-1-3-5-13/h1-10H,11-12H2/t19-/m0/s1.
What are the key properties of (2S)-1'-benzyl-5'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione?
(2S)-1'-benzyl-5'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione has a molecular weight of 323.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-benzyl-5'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione is sourced from PubChem (CID 102433401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).