N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide

C23H23FN2O4 — CID 58390489

IUPACN-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(OCCF)c(CN(C(C)=O)c2cccnc2Oc2ccccc2)c1
InChIInChI=1S/C23H23FN2O4/c1-17(27)26(16-18-15-20(28-2)10-11-22(18)29-14-12-24)21-9-6-13-25-23(21)30-19-7-4-3-5-8-19/h3-11,13,15H,12,14,16H2,1-2H3
InChIKeyPCMWZXXQVRTMBA-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.78
Rot. Bonds9

About N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide

N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide (PubChem CID 58390489) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide
PubChem CID58390489
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC NameN-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(OCCF)c(CN(C(C)=O)c2cccnc2Oc2ccccc2)c1
InChIInChI=1S/C23H23FN2O4/c1-17(27)26(16-18-15-20(28-2)10-11-22(18)29-14-12-24)21-9-6-13-25-23(21)30-19-7-4-3-5-8-19/h3-11,13,15H,12,14,16H2,1-2H3
InChIKeyPCMWZXXQVRTMBA-UHFFFAOYSA-N
XLogP4.78
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide?
The IUPAC name of N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide (CID 58390489) is N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide.
What is the SMILES notation for N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide?
The canonical SMILES for N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide is COc1ccc(OCCF)c(CN(C(C)=O)c2cccnc2Oc2ccccc2)c1.
What is the InChIKey of N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide?
The InChIKey is PCMWZXXQVRTMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-17(27)26(16-18-15-20(28-2)10-11-22(18)29-14-12-24)21-9-6-13-25-23(21)30-19-7-4-3-5-8-19/h3-11,13,15H,12,14,16H2,1-2H3.
What are the key properties of N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide?
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide has a molecular weight of 410.45 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 58390489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).