N-[(2S)-1-[3-[[3-fluoro-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide

C21H24F2N2O3 — CID 122497727

IUPACN-[(2S)-1-[3-[[3-fluoro-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CC(COc2nccc(-c3ccc(F)cc3)c2F)C1
InChIInChI=1S/C21H24F2N2O3/c1-13(25-14(2)26)11-27-18-9-15(10-18)12-28-21-20(23)19(7-8-24-21)16-3-5-17(22)6-4-16/h3-8,13,15,18H,9-12H2,1-2H3,(H,25,26)/t13-,15?,18?/m0/s1
InChIKeyHRYZGBBMVCXPQN-UQHVZDHRSA-N
MW390.43 g/mol
LogP3.73
Rot. Bonds8

About N-[(2S)-1-[3-[[3-fluoro-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[3-[[3-fluoro-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (PubChem CID 122497727) has the molecular formula C21H24F2N2O3 and a molecular weight of 390.43 g/mol. Its IUPAC name is N-[(2S)-1-[3-[[3-fluoro-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-[[3-fluoro-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
PubChem CID122497727
Molecular FormulaC21H24F2N2O3
Molecular Weight390.43 g/mol
Exact Mass390.18
IUPAC NameN-[(2S)-1-[3-[[3-fluoro-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CC(COc2nccc(-c3ccc(F)cc3)c2F)C1
InChIInChI=1S/C21H24F2N2O3/c1-13(25-14(2)26)11-27-18-9-15(10-18)12-28-21-20(23)19(7-8-24-21)16-3-5-17(22)6-4-16/h3-8,13,15,18H,9-12H2,1-2H3,(H,25,26)/t13-,15?,18?/m0/s1
InChIKeyHRYZGBBMVCXPQN-UQHVZDHRSA-N
XLogP3.73
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-[[3-fluoro-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[3-[[3-fluoro-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (CID 122497727) is N-[(2S)-1-[3-[[3-fluoro-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[3-[[3-fluoro-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[3-[[3-fluoro-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CC(COc2nccc(-c3ccc(F)cc3)c2F)C1.
What is the InChIKey of N-[(2S)-1-[3-[[3-fluoro-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The InChIKey is HRYZGBBMVCXPQN-UQHVZDHRSA-N. The full InChI is InChI=1S/C21H24F2N2O3/c1-13(25-14(2)26)11-27-18-9-15(10-18)12-28-21-20(23)19(7-8-24-21)16-3-5-17(22)6-4-16/h3-8,13,15,18H,9-12H2,1-2H3,(H,25,26)/t13-,15?,18?/m0/s1.
What are the key properties of N-[(2S)-1-[3-[[3-fluoro-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[3-[[3-fluoro-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide has a molecular weight of 390.43 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-[[3-fluoro-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).