(3S,3'S)-6-fluoro-N-(2-fluorophenyl)-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide

C20H18F2N2O3 — CID 92609212

IUPAC(3S,3'S)-6-fluoro-N-(2-fluorophenyl)-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide
SMILESCN1C[C@@H](C(=O)Nc2ccccc2F)[C@@]2(COc3ccc(F)cc3C2=O)C1
InChIInChI=1S/C20H18F2N2O3/c1-24-9-14(19(26)23-16-5-3-2-4-15(16)22)20(10-24)11-27-17-7-6-12(21)8-13(17)18(20)25/h2-8,14H,9-11H2,1H3,(H,23,26)/t14-,20-/m0/s1
InChIKeyGELHLLOTPYWBPG-XOBRGWDASA-N
MW372.37 g/mol
LogP2.73
Rot. Bonds2

About (3S,3'S)-6-fluoro-N-(2-fluorophenyl)-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide

(3S,3'S)-6-fluoro-N-(2-fluorophenyl)-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide (PubChem CID 92609212) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is (3S,3'S)-6-fluoro-N-(2-fluorophenyl)-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide.

Molecular Properties

Compound Name(3S,3'S)-6-fluoro-N-(2-fluorophenyl)-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide
PubChem CID92609212
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC Name(3S,3'S)-6-fluoro-N-(2-fluorophenyl)-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide
SMILESCN1C[C@@H](C(=O)Nc2ccccc2F)[C@@]2(COc3ccc(F)cc3C2=O)C1
InChIInChI=1S/C20H18F2N2O3/c1-24-9-14(19(26)23-16-5-3-2-4-15(16)22)20(10-24)11-27-17-7-6-12(21)8-13(17)18(20)25/h2-8,14H,9-11H2,1H3,(H,23,26)/t14-,20-/m0/s1
InChIKeyGELHLLOTPYWBPG-XOBRGWDASA-N
XLogP2.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,3'S)-6-fluoro-N-(2-fluorophenyl)-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide?
The IUPAC name of (3S,3'S)-6-fluoro-N-(2-fluorophenyl)-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide (CID 92609212) is (3S,3'S)-6-fluoro-N-(2-fluorophenyl)-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide.
What is the SMILES notation for (3S,3'S)-6-fluoro-N-(2-fluorophenyl)-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide?
The canonical SMILES for (3S,3'S)-6-fluoro-N-(2-fluorophenyl)-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide is CN1C[C@@H](C(=O)Nc2ccccc2F)[C@@]2(COc3ccc(F)cc3C2=O)C1.
What is the InChIKey of (3S,3'S)-6-fluoro-N-(2-fluorophenyl)-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide?
The InChIKey is GELHLLOTPYWBPG-XOBRGWDASA-N. The full InChI is InChI=1S/C20H18F2N2O3/c1-24-9-14(19(26)23-16-5-3-2-4-15(16)22)20(10-24)11-27-17-7-6-12(21)8-13(17)18(20)25/h2-8,14H,9-11H2,1H3,(H,23,26)/t14-,20-/m0/s1.
What are the key properties of (3S,3'S)-6-fluoro-N-(2-fluorophenyl)-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide?
(3S,3'S)-6-fluoro-N-(2-fluorophenyl)-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide has a molecular weight of 372.37 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3'S)-6-fluoro-N-(2-fluorophenyl)-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide is sourced from PubChem (CID 92609212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).