2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]propanamide

C27H23F3N4O2 — CID 154598259

IUPAC2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@]1(C)c1ccccc1
InChIInChI=1S/C27H23F3N4O2/c1-26(18-6-4-3-5-7-18)23(32-25(36)27(2,29)30)15-24(35)33(26)21-12-13-22-17(14-21)16-31-34(22)20-10-8-19(28)9-11-20/h3-14,16,23H,15H2,1-2H3,(H,32,36)/t23-,26+/m0/s1
InChIKeyJDXKAXLSVBBDFL-JYFHCDHNSA-N
MW492.50 g/mol
LogP4.96
Rot. Bonds5

About 2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]propanamide

2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]propanamide (PubChem CID 154598259) has the molecular formula C27H23F3N4O2 and a molecular weight of 492.50 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
PubChem CID154598259
Molecular FormulaC27H23F3N4O2
Molecular Weight492.50 g/mol
Exact Mass492.18
IUPAC Name2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@]1(C)c1ccccc1
InChIInChI=1S/C27H23F3N4O2/c1-26(18-6-4-3-5-7-18)23(32-25(36)27(2,29)30)15-24(35)33(26)21-12-13-22-17(14-21)16-31-34(22)20-10-8-19(28)9-11-20/h3-14,16,23H,15H2,1-2H3,(H,32,36)/t23-,26+/m0/s1
InChIKeyJDXKAXLSVBBDFL-JYFHCDHNSA-N
XLogP4.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]propanamide (CID 154598259) is 2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]propanamide is CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@]1(C)c1ccccc1.
What is the InChIKey of 2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The InChIKey is JDXKAXLSVBBDFL-JYFHCDHNSA-N. The full InChI is InChI=1S/C27H23F3N4O2/c1-26(18-6-4-3-5-7-18)23(32-25(36)27(2,29)30)15-24(35)33(26)21-12-13-22-17(14-21)16-31-34(22)20-10-8-19(28)9-11-20/h3-14,16,23H,15H2,1-2H3,(H,32,36)/t23-,26+/m0/s1.
What are the key properties of 2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]propanamide has a molecular weight of 492.50 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-5-oxo-2-phenylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 154598259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).