(2R,4S)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide

C29H24ClFN4O4 — CID 25210469

IUPAC(2R,4S)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc(-n2ccccc2=O)cc1F)[C@H]1C[C@](O)(c2ccccc2)CN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C29H24ClFN4O4/c30-20-9-11-21(12-10-20)32-28(38)35-18-29(39,19-6-2-1-3-7-19)17-25(35)27(37)33-24-14-13-22(16-23(24)31)34-15-5-4-8-26(34)36/h1-16,25,39H,17-18H2,(H,32,38)(H,33,37)/t25-,29-/m1/s1
InChIKeyZFOBYPBSJINJKI-VAVYLYDRSA-N
MW546.99 g/mol
LogP4.76
Rot. Bonds5

About (2R,4S)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide

(2R,4S)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 25210469) has the molecular formula C29H24ClFN4O4 and a molecular weight of 546.99 g/mol. Its IUPAC name is (2R,4S)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4S)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID25210469
Molecular FormulaC29H24ClFN4O4
Molecular Weight546.99 g/mol
Exact Mass546.15
IUPAC Name(2R,4S)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc(-n2ccccc2=O)cc1F)[C@H]1C[C@](O)(c2ccccc2)CN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C29H24ClFN4O4/c30-20-9-11-21(12-10-20)32-28(38)35-18-29(39,19-6-2-1-3-7-19)17-25(35)27(37)33-24-14-13-22(16-23(24)31)34-15-5-4-8-26(34)36/h1-16,25,39H,17-18H2,(H,32,38)(H,33,37)/t25-,29-/m1/s1
InChIKeyZFOBYPBSJINJKI-VAVYLYDRSA-N
XLogP4.76
TPSA103.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.99
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4S)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide (CID 25210469) is (2R,4S)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4S)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4S)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide is O=C(Nc1ccc(-n2ccccc2=O)cc1F)[C@H]1C[C@](O)(c2ccccc2)CN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R,4S)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is ZFOBYPBSJINJKI-VAVYLYDRSA-N. The full InChI is InChI=1S/C29H24ClFN4O4/c30-20-9-11-21(12-10-20)32-28(38)35-18-29(39,19-6-2-1-3-7-19)17-25(35)27(37)33-24-14-13-22(16-23(24)31)34-15-5-4-8-26(34)36/h1-16,25,39H,17-18H2,(H,32,38)(H,33,37)/t25-,29-/m1/s1.
What are the key properties of (2R,4S)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide?
(2R,4S)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 546.99 g/mol, XLogP of 4.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 25210469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).