N-[1-(2-fluorophenyl)ethyl]-3-formyl-4-pyrazolidin-4-ylbenzamide

C19H20FN3O2 — CID 131636101

IUPACN-[1-(2-fluorophenyl)ethyl]-3-formyl-4-pyrazolidin-4-ylbenzamide
SMILESCC(NC(=O)c1ccc(C2CNNC2)c(C=O)c1)c1ccccc1F
InChIInChI=1S/C19H20FN3O2/c1-12(16-4-2-3-5-18(16)20)23-19(25)13-6-7-17(14(8-13)11-24)15-9-21-22-10-15/h2-8,11-12,15,21-22H,9-10H2,1H3,(H,23,25)
InChIKeyAXYDYQYPTJMEHP-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.32
Rot. Bonds5

About N-[1-(2-fluorophenyl)ethyl]-3-formyl-4-pyrazolidin-4-ylbenzamide

N-[1-(2-fluorophenyl)ethyl]-3-formyl-4-pyrazolidin-4-ylbenzamide (PubChem CID 131636101) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-3-formyl-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-3-formyl-4-pyrazolidin-4-ylbenzamide
PubChem CID131636101
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-3-formyl-4-pyrazolidin-4-ylbenzamide
SMILESCC(NC(=O)c1ccc(C2CNNC2)c(C=O)c1)c1ccccc1F
InChIInChI=1S/C19H20FN3O2/c1-12(16-4-2-3-5-18(16)20)23-19(25)13-6-7-17(14(8-13)11-24)15-9-21-22-10-15/h2-8,11-12,15,21-22H,9-10H2,1H3,(H,23,25)
InChIKeyAXYDYQYPTJMEHP-UHFFFAOYSA-N
XLogP2.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-3-formyl-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-3-formyl-4-pyrazolidin-4-ylbenzamide (CID 131636101) is N-[1-(2-fluorophenyl)ethyl]-3-formyl-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-3-formyl-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-3-formyl-4-pyrazolidin-4-ylbenzamide is CC(NC(=O)c1ccc(C2CNNC2)c(C=O)c1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-3-formyl-4-pyrazolidin-4-ylbenzamide?
The InChIKey is AXYDYQYPTJMEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-12(16-4-2-3-5-18(16)20)23-19(25)13-6-7-17(14(8-13)11-24)15-9-21-22-10-15/h2-8,11-12,15,21-22H,9-10H2,1H3,(H,23,25).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-3-formyl-4-pyrazolidin-4-ylbenzamide?
N-[1-(2-fluorophenyl)ethyl]-3-formyl-4-pyrazolidin-4-ylbenzamide has a molecular weight of 341.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-3-formyl-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131636101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).