3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide

C17H25FN2O — CID 110622499

IUPAC3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(C)(CNC(=O)CCc1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C17H25FN2O/c1-17(2,20-11-3-4-12-20)13-19-16(21)10-7-14-5-8-15(18)9-6-14/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,19,21)
InChIKeyXQWMSUPDTHAAHQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.75
Rot. Bonds6

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

3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 110622499) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
PubChem CID110622499
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(C)(CNC(=O)CCc1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C17H25FN2O/c1-17(2,20-11-3-4-12-20)13-19-16(21)10-7-14-5-8-15(18)9-6-14/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,19,21)
InChIKeyXQWMSUPDTHAAHQ-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide
CID 51164309
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide
CID 112504915
3-(2-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 51164305
3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110620424
4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide
CID 110622566
5-(4-fluorophenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)furan-2-carboxamide
CID 55378466
3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide
CID 110620539
1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55684161
2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
CID 110312935
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110413894
4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide
CID 51164342
5-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 110306829

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide (CID 110622499) is 3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide is CC(C)(CNC(=O)CCc1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is XQWMSUPDTHAAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-17(2,20-11-3-4-12-20)13-19-16(21)10-7-14-5-8-15(18)9-6-14/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide?
3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 292.40 g/mol, XLogP of 2.75, 6 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-methyl-2-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 110622499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).