2-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide

C18H24FNO3 — CID 91798043

IUPAC2-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide
SMILESO=C(Cc1ccccc1F)N[C@H]1CCOC[C@H]1C1CCOCC1
InChIInChI=1S/C18H24FNO3/c19-16-4-2-1-3-14(16)11-18(21)20-17-7-10-23-12-15(17)13-5-8-22-9-6-13/h1-4,13,15,17H,5-12H2,(H,20,21)/t15-,17-/m0/s1
InChIKeyJVQYEAXFEONQPT-RDJZCZTQSA-N
MW321.39 g/mol
LogP2.32
Rot. Bonds4

About 2-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide

2-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide (PubChem CID 91798043) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide
PubChem CID91798043
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name2-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide
SMILESO=C(Cc1ccccc1F)N[C@H]1CCOC[C@H]1C1CCOCC1
InChIInChI=1S/C18H24FNO3/c19-16-4-2-1-3-14(16)11-18(21)20-17-7-10-23-12-15(17)13-5-8-22-9-6-13/h1-4,13,15,17H,5-12H2,(H,20,21)/t15-,17-/m0/s1
InChIKeyJVQYEAXFEONQPT-RDJZCZTQSA-N
XLogP2.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]biphenyl-2-carboxamide
CID 91761800
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxan-4-yl)propanamide
CID 11358226
2-[(2-fluorobenzyl)(methyl)amino]-N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]acetamide
CID 91779980
N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 91785874
N-cyclopropyl-2-[9-(3-fluorobenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]acetamide
CID 91919393
2-(4-Fluorophenyl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 118739565
4-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)oxane-4-carboxamide
CID 129567322
2-(2-chlorophenyl)-N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]acetamide
CID 91760361
2-(2,3-dihydro-1H-inden-2-yl)-N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]acetamide
CID 91769007
2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 2234488
N-{[4-(4-fluorophenyl)oxan-4-yl]methyl}cyclohexanecarboxamide
CID 27450029
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 71847239

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide (CID 91798043) is 2-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide is O=C(Cc1ccccc1F)N[C@H]1CCOC[C@H]1C1CCOCC1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide?
The InChIKey is JVQYEAXFEONQPT-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H24FNO3/c19-16-4-2-1-3-14(16)11-18(21)20-17-7-10-23-12-15(17)13-5-8-22-9-6-13/h1-4,13,15,17H,5-12H2,(H,20,21)/t15-,17-/m0/s1.
What are the key properties of 2-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide?
2-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide has a molecular weight of 321.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide is sourced from PubChem (CID 91798043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).