3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide

C24H24FN3O2 — CID 90621306

IUPAC3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
SMILESO=C(CCc1cccc(Oc2ccc(F)cc2)c1)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C24H24FN3O2/c25-19-8-10-21(11-9-19)30-22-5-3-4-18(16-22)7-12-24(29)27-20-13-15-28(17-20)23-6-1-2-14-26-23/h1-6,8-11,14,16,20H,7,12-13,15,17H2,(H,27,29)
InChIKeyYLOQXDSNJQWWCL-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.34
Rot. Bonds7

About 3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide

3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide (PubChem CID 90621306) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
PubChem CID90621306
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
SMILESO=C(CCc1cccc(Oc2ccc(F)cc2)c1)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C24H24FN3O2/c25-19-8-10-21(11-9-19)30-22-5-3-4-18(16-22)7-12-24(29)27-20-13-15-28(17-20)23-6-1-2-14-26-23/h1-6,8-11,14,16,20H,7,12-13,15,17H2,(H,27,29)
InChIKeyYLOQXDSNJQWWCL-UHFFFAOYSA-N
XLogP4.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621285
3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide
CID 99875625
3-phenoxy-N-(1-pyridin-2-ylpiperidin-3-yl)propanamide
CID 110107081
3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621185
3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621291
3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621287
1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87007480
1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621427
2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99696681
3-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142708
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550
6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide
CID 90621313

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
The IUPAC name of 3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide (CID 90621306) is 3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide is O=C(CCc1cccc(Oc2ccc(F)cc2)c1)NC1CCN(c2ccccn2)C1.
What is the InChIKey of 3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
The InChIKey is YLOQXDSNJQWWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-19-8-10-21(11-9-19)30-22-5-3-4-18(16-22)7-12-24(29)27-20-13-15-28(17-20)23-6-1-2-14-26-23/h1-6,8-11,14,16,20H,7,12-13,15,17H2,(H,27,29).
What are the key properties of 3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide has a molecular weight of 405.47 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 90621306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).