3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide

C18H27FN2O — CID 110353187

IUPAC3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide
SMILESCCC(CC(=O)NCC(C)N1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O/c1-3-15(16-6-8-17(19)9-7-16)12-18(22)20-13-14(2)21-10-4-5-11-21/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,22)
InChIKeyJWMVXILRSAAMBP-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.31
Rot. Bonds7

About 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide

3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide (PubChem CID 110353187) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide
PubChem CID110353187
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC Name3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide
SMILESCCC(CC(=O)NCC(C)N1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O/c1-3-15(16-6-8-17(19)9-7-16)12-18(22)20-13-14(2)21-10-4-5-11-21/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,22)
InChIKeyJWMVXILRSAAMBP-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110620424
3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide
CID 110620539
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 110354780
3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide
CID 110354796
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide
CID 110355468
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluorophenyl)pentanamide
CID 110354906
2-chloro-4-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031094
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide
CID 118783187
2-methyl-3-(3-phenylpentanoylamino)propanoic acid
CID 119237250
2-(2-hydroxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 78916880
2-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112506627
N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
CID 112505175

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide (CID 110353187) is 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide is CCC(CC(=O)NCC(C)N1CCCC1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide?
The InChIKey is JWMVXILRSAAMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-3-15(16-6-8-17(19)9-7-16)12-18(22)20-13-14(2)21-10-4-5-11-21/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,22).
What are the key properties of 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide?
3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide has a molecular weight of 306.42 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide is sourced from PubChem (CID 110353187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).