4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide

C18H25FN2O2 — CID 110622566

IUPAC4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide
SMILESCC(C)(CNC(=O)CCC(=O)c1ccccc1F)N1CCCC1
InChIInChI=1S/C18H25FN2O2/c1-18(2,21-11-5-6-12-21)13-20-17(23)10-9-16(22)14-7-3-4-8-15(14)19/h3-4,7-8H,5-6,9-13H2,1-2H3,(H,20,23)
InChIKeyHZWJNUBCRCOUEZ-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.78
Rot. Bonds7

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

4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide (PubChem CID 110622566) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide
PubChem CID110622566
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide
SMILESCC(C)(CNC(=O)CCC(=O)c1ccccc1F)N1CCCC1
InChIInChI=1S/C18H25FN2O2/c1-18(2,21-11-5-6-12-21)13-20-17(23)10-9-16(22)14-7-3-4-8-15(14)19/h3-4,7-8H,5-6,9-13H2,1-2H3,(H,20,23)
InChIKeyHZWJNUBCRCOUEZ-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide
CID 51164342
N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 51164347
3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110622499
N-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide
CID 110627612
N-butyl-4-(2-fluorophenyl)-4-oxobutanamide
CID 110406683
2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 51148947
5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide
CID 110303155
1-(2-fluorophenyl)-3-methyl-3-piperazin-1-ylbutan-1-one
CID 116924095
4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 110624077
4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110407748
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide
CID 110303146
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110413894

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide?
The IUPAC name of 4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide (CID 110622566) is 4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide is CC(C)(CNC(=O)CCC(=O)c1ccccc1F)N1CCCC1.
What is the InChIKey of 4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide?
The InChIKey is HZWJNUBCRCOUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-18(2,21-11-5-6-12-21)13-20-17(23)10-9-16(22)14-7-3-4-8-15(14)19/h3-4,7-8H,5-6,9-13H2,1-2H3,(H,20,23).
What are the key properties of 4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide?
4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide has a molecular weight of 320.41 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide is sourced from PubChem (CID 110622566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).