3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one

C20H23FN2O — CID 120610859

IUPAC3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one
SMILESNc1ccccc1CCC(=O)N1CCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H23FN2O/c21-18-8-5-15(6-9-18)13-16-11-12-23(14-16)20(24)10-7-17-3-1-2-4-19(17)22/h1-6,8-9,16H,7,10-14,22H2
InChIKeyGKOKHYPTONDIQG-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.43
Rot. Bonds5

About 3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one

3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 120610859) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID120610859
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one
SMILESNc1ccccc1CCC(=O)N1CCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H23FN2O/c21-18-8-5-15(6-9-18)13-16-11-12-23(14-16)20(24)10-7-17-3-1-2-4-19(17)22/h1-6,8-9,16H,7,10-14,22H2
InChIKeyGKOKHYPTONDIQG-UHFFFAOYSA-N
XLogP3.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 114799225
3-[1-[3-(2-aminophenyl)propanoyl]pyrrolidin-3-yl]propanoic acid
CID 107273313
3-(2-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120609548
3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 120607548
3-(2-aminophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 120609365
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 120609351
3-(2-aminophenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120608667
3-(2-aminophenyl)-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120611447
3-(2-aminophenyl)-1-[3-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 120611457
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 2362965
3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one
CID 120610694

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one (CID 120610859) is 3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one is Nc1ccccc1CCC(=O)N1CCC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is GKOKHYPTONDIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c21-18-8-5-15(6-9-18)13-16-11-12-23(14-16)20(24)10-7-17-3-1-2-4-19(17)22/h1-6,8-9,16H,7,10-14,22H2.
What are the key properties of 3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one?
3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 326.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 120610859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).