2-N-(2,3-difluorophenyl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide

C18H17F2N3O3 — CID 6488157

IUPAC2-N-(2,3-difluorophenyl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1cccc(F)c1F)C1CC(O)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C18H17F2N3O3/c19-13-7-4-8-14(16(13)20)22-17(25)15-9-12(24)10-23(15)18(26)21-11-5-2-1-3-6-11/h1-8,12,15,24H,9-10H2,(H,21,26)(H,22,25)
InChIKeyRRDVKJPZSJQUHU-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.57
Rot. Bonds3

About 2-N-(2,3-difluorophenyl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide

2-N-(2,3-difluorophenyl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 6488157) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is 2-N-(2,3-difluorophenyl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,3-difluorophenyl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID6488157
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name2-N-(2,3-difluorophenyl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1cccc(F)c1F)C1CC(O)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C18H17F2N3O3/c19-13-7-4-8-14(16(13)20)22-17(25)15-9-12(24)10-23(15)18(26)21-11-5-2-1-3-6-11/h1-8,12,15,24H,9-10H2,(H,21,26)(H,22,25)
InChIKeyRRDVKJPZSJQUHU-UHFFFAOYSA-N
XLogP2.57
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-difluorophenyl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(2,3-difluorophenyl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 6488157) is 2-N-(2,3-difluorophenyl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2,3-difluorophenyl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2,3-difluorophenyl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide is O=C(Nc1cccc(F)c1F)C1CC(O)CN1C(=O)Nc1ccccc1.
What is the InChIKey of 2-N-(2,3-difluorophenyl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is RRDVKJPZSJQUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c19-13-7-4-8-14(16(13)20)22-17(25)15-9-12(24)10-23(15)18(26)21-11-5-2-1-3-6-11/h1-8,12,15,24H,9-10H2,(H,21,26)(H,22,25).
What are the key properties of 2-N-(2,3-difluorophenyl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide?
2-N-(2,3-difluorophenyl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 361.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-difluorophenyl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 6488157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).