N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide

C22H21FN2O3 — CID 70695162

IUPACN-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
SMILESCC(=O)N(Cc1cccc(OCCF)c1)c1cnccc1Oc1ccccc1
InChIInChI=1S/C22H21FN2O3/c1-17(26)25(16-18-6-5-9-20(14-18)27-13-11-23)21-15-24-12-10-22(21)28-19-7-3-2-4-8-19/h2-10,12,14-15H,11,13,16H2,1H3
InChIKeyYASPGFFRIXXENB-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.78
Rot. Bonds8

About N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide

N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide (PubChem CID 70695162) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
PubChem CID70695162
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC NameN-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
SMILESCC(=O)N(Cc1cccc(OCCF)c1)c1cnccc1Oc1ccccc1
InChIInChI=1S/C22H21FN2O3/c1-17(26)25(16-18-6-5-9-20(14-18)27-13-11-23)21-15-24-12-10-22(21)28-19-7-3-2-4-8-19/h2-10,12,14-15H,11,13,16H2,1H3
InChIKeyYASPGFFRIXXENB-UHFFFAOYSA-N
XLogP4.78
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide?
The IUPAC name of N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide (CID 70695162) is N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide.
What is the SMILES notation for N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide?
The canonical SMILES for N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide is CC(=O)N(Cc1cccc(OCCF)c1)c1cnccc1Oc1ccccc1.
What is the InChIKey of N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide?
The InChIKey is YASPGFFRIXXENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-17(26)25(16-18-6-5-9-20(14-18)27-13-11-23)21-15-24-12-10-22(21)28-19-7-3-2-4-8-19/h2-10,12,14-15H,11,13,16H2,1H3.
What are the key properties of N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide?
N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide has a molecular weight of 380.42 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 70695162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).