3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide

C24H25FN2O2 — CID 166191449

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccccc1N1CCCC1
InChIInChI=1S/C24H25FN2O2/c25-21-9-3-2-8-20(21)23-13-11-19(29-23)12-14-24(28)26-17-18-7-1-4-10-22(18)27-15-5-6-16-27/h1-4,7-11,13H,5-6,12,14-17H2,(H,26,28)
InChIKeyCYXUXEBZAJJLSY-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.93
Rot. Bonds7

About 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide

3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide (PubChem CID 166191449) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
PubChem CID166191449
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccccc1N1CCCC1
InChIInChI=1S/C24H25FN2O2/c25-21-9-3-2-8-20(21)23-13-11-19(29-23)12-14-24(28)26-17-18-7-1-4-10-22(18)27-15-5-6-16-27/h1-4,7-11,13H,5-6,12,14-17H2,(H,26,28)
InChIKeyCYXUXEBZAJJLSY-UHFFFAOYSA-N
XLogP4.93
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 30885363
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CID 30598254
N-[(4-fluoro-3-methylphenyl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 16580078
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 18163857
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
N-cyclohexyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 9243405
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119506756
2-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethylsulfanyl]acetic acid
CID 119242104
4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid
CID 119229769
3-[5-(2-fluorophenyl)furan-2-yl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide
CID 41321896
N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119496957
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 38740723

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide (CID 166191449) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide is O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccccc1N1CCCC1.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The InChIKey is CYXUXEBZAJJLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c25-21-9-3-2-8-20(21)23-13-11-19(29-23)12-14-24(28)26-17-18-7-1-4-10-22(18)27-15-5-6-16-27/h1-4,7-11,13H,5-6,12,14-17H2,(H,26,28).
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide has a molecular weight of 392.47 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 166191449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).