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

C16H17FN2O2 — CID 25252601

IUPAC2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C16H17FN2O2/c1-2-15(21-14-7-5-13(17)6-8-14)16(20)19-11-12-4-3-9-18-10-12/h3-10,15H,2,11H2,1H3,(H,19,20)
InChIKeyDABDUULHSDELKX-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.69
Rot. Bonds6

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

2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 25252601) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide
PubChem CID25252601
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C16H17FN2O2/c1-2-15(21-14-7-5-13(17)6-8-14)16(20)19-11-12-4-3-9-18-10-12/h3-10,15H,2,11H2,1H3,(H,19,20)
InChIKeyDABDUULHSDELKX-UHFFFAOYSA-N
XLogP2.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)butanamide
CID 17199653
(2S)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40624060
(2R)-2-(4-fluorophenoxy)-N-pyridin-3-ylbutanamide
CID 99131304
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 99131487
2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 25236333
(2R)-2-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 31882488
(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347875
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 800409
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 7450116

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide (CID 25252601) is 2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide is CCC(Oc1ccc(F)cc1)C(=O)NCc1cccnc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is DABDUULHSDELKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-2-15(21-14-7-5-13(17)6-8-14)16(20)19-11-12-4-3-9-18-10-12/h3-10,15H,2,11H2,1H3,(H,19,20).
What are the key properties of 2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide?
2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 288.32 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 25252601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).