2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide

C18H26FNO3 — CID 129399227

IUPAC2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide
SMILESCOc1ccc(F)cc1CC(=O)NC[C@@H]1CCCO[C@@H]1C(C)C
InChIInChI=1S/C18H26FNO3/c1-12(2)18-13(5-4-8-23-18)11-20-17(21)10-14-9-15(19)6-7-16(14)22-3/h6-7,9,12-13,18H,4-5,8,10-11H2,1-3H3,(H,20,21)/t13-,18+/m0/s1
InChIKeyZJLZUOZEQPMCHM-SCLBCKFNSA-N
MW323.41 g/mol
LogP2.94
Rot. Bonds6

About 2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide

2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide (PubChem CID 129399227) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide
PubChem CID129399227
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide
SMILESCOc1ccc(F)cc1CC(=O)NC[C@@H]1CCCO[C@@H]1C(C)C
InChIInChI=1S/C18H26FNO3/c1-12(2)18-13(5-4-8-23-18)11-20-17(21)10-14-9-15(19)6-7-16(14)22-3/h6-7,9,12-13,18H,4-5,8,10-11H2,1-3H3,(H,20,21)/t13-,18+/m0/s1
InChIKeyZJLZUOZEQPMCHM-SCLBCKFNSA-N
XLogP2.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide (CID 129399227) is 2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide is COc1ccc(F)cc1CC(=O)NC[C@@H]1CCCO[C@@H]1C(C)C.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide?
The InChIKey is ZJLZUOZEQPMCHM-SCLBCKFNSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-12(2)18-13(5-4-8-23-18)11-20-17(21)10-14-9-15(19)6-7-16(14)22-3/h6-7,9,12-13,18H,4-5,8,10-11H2,1-3H3,(H,20,21)/t13-,18+/m0/s1.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide?
2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide has a molecular weight of 323.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide is sourced from PubChem (CID 129399227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).