N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyloxolane-3-carboxamide

C18H24FNO3 — CID 75398805

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C18H24FNO3/c1-13-16(6-9-23-13)17(21)20-12-18(7-10-22-11-8-18)14-2-4-15(19)5-3-14/h2-5,13,16H,6-12H2,1H3,(H,20,21)
InChIKeyZSBKFTRVJVZSDL-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.42
Rot. Bonds4

About N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyloxolane-3-carboxamide

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyloxolane-3-carboxamide (PubChem CID 75398805) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyloxolane-3-carboxamide
PubChem CID75398805
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C18H24FNO3/c1-13-16(6-9-23-13)17(21)20-12-18(7-10-22-11-8-18)14-2-4-15(19)5-3-14/h2-5,13,16H,6-12H2,1H3,(H,20,21)
InChIKeyZSBKFTRVJVZSDL-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 755211
N-{[4-(4-fluorophenyl)oxan-4-yl]methyl}cyclopentanecarboxamide
CID 27450040
N-[2-(4-fluorophenyl)ethyl]-4-methyloxane-4-carboxamide
CID 118740482
2,2,2-trifluoro-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 802940
(2R,3S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
CID 128975664
cis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide
CID 129423977
4-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)oxane-4-carboxamide
CID 129567322
N-[(4-phenyltetrahydro-4H-pyran-4-yl)methyl]-(S)-3-cyclohexene-1-carboxamide
CID 95986073
2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 2234488
N-{[4-(4-fluorophenyl)oxan-4-yl]methyl}cyclohexanecarboxamide
CID 27450029
[4-(3-Fluorobenzyl)-1-(tetrahydro-3-furanylcarbonyl)-4-piperidinyl]methanol
CID 45237615
(1R,2R,4R)-N-{[4-(2-Fluorophenyl)oxan-4-YL]methyl}bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 46972768

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyloxolane-3-carboxamide (CID 75398805) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)NCC1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyloxolane-3-carboxamide?
The InChIKey is ZSBKFTRVJVZSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3/c1-13-16(6-9-23-13)17(21)20-12-18(7-10-22-11-8-18)14-2-4-15(19)5-3-14/h2-5,13,16H,6-12H2,1H3,(H,20,21).
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyloxolane-3-carboxamide?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyloxolane-3-carboxamide has a molecular weight of 321.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 75398805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).