3-(2-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]propanamide

C22H26FNO3 — CID 71806736

IUPAC3-(2-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]propanamide
SMILESCOc1ccc(C2(CNC(=O)CCc3ccccc3F)CCOCC2)cc1
InChIInChI=1S/C22H26FNO3/c1-26-19-9-7-18(8-10-19)22(12-14-27-15-13-22)16-24-21(25)11-6-17-4-2-3-5-20(17)23/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)
InChIKeyMEPRHIDNAXDSLN-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.63
Rot. Bonds7

About 3-(2-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]propanamide

3-(2-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]propanamide (PubChem CID 71806736) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]propanamide
PubChem CID71806736
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name3-(2-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]propanamide
SMILESCOc1ccc(C2(CNC(=O)CCc3ccccc3F)CCOCC2)cc1
InChIInChI=1S/C22H26FNO3/c1-26-19-9-7-18(8-10-19)22(12-14-27-15-13-22)16-24-21(25)11-6-17-4-2-3-5-20(17)23/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)
InChIKeyMEPRHIDNAXDSLN-UHFFFAOYSA-N
XLogP3.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]propanamide (CID 71806736) is 3-(2-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]propanamide is COc1ccc(C2(CNC(=O)CCc3ccccc3F)CCOCC2)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]propanamide?
The InChIKey is MEPRHIDNAXDSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-26-19-9-7-18(8-10-19)22(12-14-27-15-13-22)16-24-21(25)11-6-17-4-2-3-5-20(17)23/h2-5,7-10H,6,11-16H2,1H3,(H,24,25).
What are the key properties of 3-(2-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]propanamide?
3-(2-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]propanamide has a molecular weight of 371.45 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]propanamide is sourced from PubChem (CID 71806736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).