N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide

C18H20FN3O3 — CID 133239194

IUPACN-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC(c3cccc(F)c3)NN2)cc1OC
InChIInChI=1S/C18H20FN3O3/c1-24-15-7-6-12(9-16(15)25-2)18(23)20-17-10-14(21-22-17)11-4-3-5-13(19)8-11/h3-9,14,17,21-22H,10H2,1-2H3,(H,20,23)
InChIKeyKYVQRQWDAMELCA-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.14
Rot. Bonds5

About N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide

N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide (PubChem CID 133239194) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide
PubChem CID133239194
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC(c3cccc(F)c3)NN2)cc1OC
InChIInChI=1S/C18H20FN3O3/c1-24-15-7-6-12(9-16(15)25-2)18(23)20-17-10-14(21-22-17)11-4-3-5-13(19)8-11/h3-9,14,17,21-22H,10H2,1-2H3,(H,20,23)
InChIKeyKYVQRQWDAMELCA-UHFFFAOYSA-N
XLogP2.14
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methoxy-3-(propylsulfamoyl)benzamide
CID 133239129
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide
CID 133239154
3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide
CID 74640579
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide
CID 133239159
N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide
CID 75401968
N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
CID 133239187
N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 133239165
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693745
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 133239134

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide (CID 133239194) is N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC2CC(c3cccc(F)c3)NN2)cc1OC.
What is the InChIKey of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide?
The InChIKey is KYVQRQWDAMELCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-24-15-7-6-12(9-16(15)25-2)18(23)20-17-10-14(21-22-17)11-4-3-5-13(19)8-11/h3-9,14,17,21-22H,10H2,1-2H3,(H,20,23).
What are the key properties of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide?
N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide has a molecular weight of 345.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 133239194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).