2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-phenylindazol-5-yl)pyrrolidin-3-yl]propanamide

C26H22F2N4O2 — CID 138684513

IUPAC2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-phenylindazol-5-yl)pyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3ccccc3)c2)[C@@H]1c1ccccc1
InChIInChI=1S/C26H22F2N4O2/c1-26(27,28)25(34)30-21-15-23(33)31(24(21)17-8-4-2-5-9-17)20-12-13-22-18(14-20)16-29-32(22)19-10-6-3-7-11-19/h2-14,16,21,24H,15H2,1H3,(H,30,34)/t21-,24+/m0/s1
InChIKeySOHRGJCAXCKVSV-XUZZJYLKSA-N
MW460.48 g/mol
LogP4.64
Rot. Bonds5

About 2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-phenylindazol-5-yl)pyrrolidin-3-yl]propanamide

2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-phenylindazol-5-yl)pyrrolidin-3-yl]propanamide (PubChem CID 138684513) has the molecular formula C26H22F2N4O2 and a molecular weight of 460.48 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-phenylindazol-5-yl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-phenylindazol-5-yl)pyrrolidin-3-yl]propanamide
PubChem CID138684513
Molecular FormulaC26H22F2N4O2
Molecular Weight460.48 g/mol
Exact Mass460.17
IUPAC Name2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-phenylindazol-5-yl)pyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3ccccc3)c2)[C@@H]1c1ccccc1
InChIInChI=1S/C26H22F2N4O2/c1-26(27,28)25(34)30-21-15-23(33)31(24(21)17-8-4-2-5-9-17)20-12-13-22-18(14-20)16-29-32(22)19-10-6-3-7-11-19/h2-14,16,21,24H,15H2,1H3,(H,30,34)/t21-,24+/m0/s1
InChIKeySOHRGJCAXCKVSV-XUZZJYLKSA-N
XLogP4.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 54.64
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)-5-oxo-2-phenyl-1-(1-phenylindazol-5-yl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-phenylindazol-5-yl)pyrrolidin-3-yl]propanamide (CID 138684513) is 2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-phenylindazol-5-yl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-phenylindazol-5-yl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-phenylindazol-5-yl)pyrrolidin-3-yl]propanamide is CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3ccccc3)c2)[C@@H]1c1ccccc1.
What is the InChIKey of 2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-phenylindazol-5-yl)pyrrolidin-3-yl]propanamide?
The InChIKey is SOHRGJCAXCKVSV-XUZZJYLKSA-N. The full InChI is InChI=1S/C26H22F2N4O2/c1-26(27,28)25(34)30-21-15-23(33)31(24(21)17-8-4-2-5-9-17)20-12-13-22-18(14-20)16-29-32(22)19-10-6-3-7-11-19/h2-14,16,21,24H,15H2,1H3,(H,30,34)/t21-,24+/m0/s1.
What are the key properties of 2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-phenylindazol-5-yl)pyrrolidin-3-yl]propanamide?
2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-phenylindazol-5-yl)pyrrolidin-3-yl]propanamide has a molecular weight of 460.48 g/mol, XLogP of 4.64, 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)-5-oxo-2-phenyl-1-(1-phenylindazol-5-yl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 138684513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).