2,5-difluoro-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide

C18H19F2N3O — CID 131636031

IUPAC2,5-difluoro-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide
SMILESC[C@@H](NC(=O)c1cc(F)c(C2CNNC2)cc1F)c1ccccc1
InChIInChI=1S/C18H19F2N3O/c1-11(12-5-3-2-4-6-12)23-18(24)15-8-16(19)14(7-17(15)20)13-9-21-22-10-13/h2-8,11,13,21-22H,9-10H2,1H3,(H,23,24)/t11-/m1/s1
InChIKeyZIJFJKNBWBQTHG-LLVKDONJSA-N
MW331.37 g/mol
LogP2.65
Rot. Bonds4

About 2,5-difluoro-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide

2,5-difluoro-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide (PubChem CID 131636031) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is 2,5-difluoro-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide
PubChem CID131636031
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2,5-difluoro-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide
SMILESC[C@@H](NC(=O)c1cc(F)c(C2CNNC2)cc1F)c1ccccc1
InChIInChI=1S/C18H19F2N3O/c1-11(12-5-3-2-4-6-12)23-18(24)15-8-16(19)14(7-17(15)20)13-9-21-22-10-13/h2-8,11,13,21-22H,9-10H2,1H3,(H,23,24)/t11-/m1/s1
InChIKeyZIJFJKNBWBQTHG-LLVKDONJSA-N
XLogP2.65
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of 2,5-difluoro-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide (CID 131636031) is 2,5-difluoro-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for 2,5-difluoro-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for 2,5-difluoro-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide is C[C@@H](NC(=O)c1cc(F)c(C2CNNC2)cc1F)c1ccccc1.
What is the InChIKey of 2,5-difluoro-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide?
The InChIKey is ZIJFJKNBWBQTHG-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-11(12-5-3-2-4-6-12)23-18(24)15-8-16(19)14(7-17(15)20)13-9-21-22-10-13/h2-8,11,13,21-22H,9-10H2,1H3,(H,23,24)/t11-/m1/s1.
What are the key properties of 2,5-difluoro-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide?
2,5-difluoro-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide has a molecular weight of 331.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131636031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).