2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide

C19H21F2N3O — CID 133129551

IUPAC2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
SMILESCN(CC1CC(c2ccccc2)NN1)C(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C19H21F2N3O/c1-24(19(25)9-13-7-15(20)10-16(21)8-13)12-17-11-18(23-22-17)14-5-3-2-4-6-14/h2-8,10,17-18,22-23H,9,11-12H2,1H3
InChIKeyRSCFRTMCGTZXQT-UHFFFAOYSA-N
MW345.39 g/mol
LogP2.57
Rot. Bonds5

About 2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide

2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide (PubChem CID 133129551) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
PubChem CID133129551
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
SMILESCN(CC1CC(c2ccccc2)NN1)C(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C19H21F2N3O/c1-24(19(25)9-13-7-15(20)10-16(21)8-13)12-17-11-18(23-22-17)14-5-3-2-4-6-14/h2-8,10,17-18,22-23H,9,11-12H2,1H3
InChIKeyRSCFRTMCGTZXQT-UHFFFAOYSA-N
XLogP2.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide (CID 133129551) is 2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide is CN(CC1CC(c2ccccc2)NN1)C(=O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide?
The InChIKey is RSCFRTMCGTZXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-24(19(25)9-13-7-15(20)10-16(21)8-13)12-17-11-18(23-22-17)14-5-3-2-4-6-14/h2-8,10,17-18,22-23H,9,11-12H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide?
2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide has a molecular weight of 345.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 133129551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).