4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide

C17H19FN2O2 — CID 86822663

IUPAC4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCN(Cc1cccnc1)C(=O)CCCOc1ccccc1F
InChIInChI=1S/C17H19FN2O2/c1-20(13-14-6-4-10-19-12-14)17(21)9-5-11-22-16-8-3-2-7-15(16)18/h2-4,6-8,10,12H,5,9,11,13H2,1H3
InChIKeyWURJRNJYMSXCSI-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.04
Rot. Bonds7

About 4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide

4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 86822663) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID86822663
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCN(Cc1cccnc1)C(=O)CCCOc1ccccc1F
InChIInChI=1S/C17H19FN2O2/c1-20(13-14-6-4-10-19-12-14)17(21)9-5-11-22-16-8-3-2-7-15(16)18/h2-4,6-8,10,12H,5,9,11,13H2,1H3
InChIKeyWURJRNJYMSXCSI-UHFFFAOYSA-N
XLogP3.04
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 87010748
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 86993083
N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide
CID 47488024
4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 55939528
3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 86827651
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 78770382
N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide
CID 60554110
2-[2-(aminomethyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 43563276
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239
6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
CID 60952825

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide (CID 86822663) is 4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide is CN(Cc1cccnc1)C(=O)CCCOc1ccccc1F.
What is the InChIKey of 4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is WURJRNJYMSXCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-20(13-14-6-4-10-19-12-14)17(21)9-5-11-22-16-8-3-2-7-15(16)18/h2-4,6-8,10,12H,5,9,11,13H2,1H3.
What are the key properties of 4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide?
4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 302.35 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 86822663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).