4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide

C18H20FN3O3 — CID 56739016

IUPAC4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide
SMILESCC(=O)NCCCC(=O)NCc1cccnc1Oc1ccccc1F
InChIInChI=1S/C18H20FN3O3/c1-13(23)20-10-5-9-17(24)22-12-14-6-4-11-21-18(14)25-16-8-3-2-7-15(16)19/h2-4,6-8,11H,5,9-10,12H2,1H3,(H,20,23)(H,22,24)
InChIKeyPQKHRTSFDFHCEL-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.55
Rot. Bonds8

About 4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide

4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide (PubChem CID 56739016) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide
PubChem CID56739016
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide
SMILESCC(=O)NCCCC(=O)NCc1cccnc1Oc1ccccc1F
InChIInChI=1S/C18H20FN3O3/c1-13(23)20-10-5-9-17(24)22-12-14-6-4-11-21-18(14)25-16-8-3-2-7-15(16)19/h2-4,6-8,11H,5,9-10,12H2,1H3,(H,20,23)(H,22,24)
InChIKeyPQKHRTSFDFHCEL-UHFFFAOYSA-N
XLogP2.55
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
CID 42198309
(2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide
CID 95197720
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 25281555
N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide
CID 38539516
4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide
CID 56747430
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxyacetamide
CID 56751588
(2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
CID 95394220
3-(2-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38534369
3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 56738366
2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]acetamide
CID 56750367
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
CID 42520255
N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 37486928

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide?
The IUPAC name of 4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide (CID 56739016) is 4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for 4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide?
The canonical SMILES for 4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide is CC(=O)NCCCC(=O)NCc1cccnc1Oc1ccccc1F.
What is the InChIKey of 4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide?
The InChIKey is PQKHRTSFDFHCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-13(23)20-10-5-9-17(24)22-12-14-6-4-11-21-18(14)25-16-8-3-2-7-15(16)19/h2-4,6-8,11H,5,9-10,12H2,1H3,(H,20,23)(H,22,24).
What are the key properties of 4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide?
4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide has a molecular weight of 345.37 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 56739016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).