4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide

C15H21FN2O2 — CID 119553657

IUPAC4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
SMILESCN(C(=O)CCCOc1cccc(F)c1)C1CCNC1
InChIInChI=1S/C15H21FN2O2/c1-18(13-7-8-17-11-13)15(19)6-3-9-20-14-5-2-4-12(16)10-14/h2,4-5,10,13,17H,3,6-9,11H2,1H3
InChIKeyKNYLNFTTXFBFNE-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.80
Rot. Bonds6

About 4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide

4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide (PubChem CID 119553657) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
PubChem CID119553657
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
SMILESCN(C(=O)CCCOc1cccc(F)c1)C1CCNC1
InChIInChI=1S/C15H21FN2O2/c1-18(13-7-8-17-11-13)15(19)6-3-9-20-14-5-2-4-12(16)10-14/h2,4-5,10,13,17H,3,6-9,11H2,1H3
InChIKeyKNYLNFTTXFBFNE-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552447
4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119553580
N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
CID 119442665
4-(4-chloro-3-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551230
4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119443722
4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119554526
4-(4-chloro-3-methylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119442076
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613703
3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 102634743
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552359
N-cyclobutyl-3-(3-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 102866340

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide?
The IUPAC name of 4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide (CID 119553657) is 4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide.
What is the SMILES notation for 4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide?
The canonical SMILES for 4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide is CN(C(=O)CCCOc1cccc(F)c1)C1CCNC1.
What is the InChIKey of 4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide?
The InChIKey is KNYLNFTTXFBFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-18(13-7-8-17-11-13)15(19)6-3-9-20-14-5-2-4-12(16)10-14/h2,4-5,10,13,17H,3,6-9,11H2,1H3.
What are the key properties of 4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide?
4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide has a molecular weight of 280.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide is sourced from PubChem (CID 119553657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).