N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclopentanecarboxamide

C18H24FNO2 — CID 27450040

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)C1CCCC1
InChIInChI=1S/C18H24FNO2/c19-16-7-5-15(6-8-16)18(9-11-22-12-10-18)13-20-17(21)14-3-1-2-4-14/h5-8,14H,1-4,9-13H2,(H,20,21)
InChIKeyMDMRCUYHJBBKNO-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.18
Rot. Bonds4

About N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclopentanecarboxamide

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclopentanecarboxamide (PubChem CID 27450040) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclopentanecarboxamide
PubChem CID27450040
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)C1CCCC1
InChIInChI=1S/C18H24FNO2/c19-16-7-5-15(6-8-16)18(9-11-22-12-10-18)13-20-17(21)14-3-1-2-4-14/h5-8,14H,1-4,9-13H2,(H,20,21)
InChIKeyMDMRCUYHJBBKNO-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 755211
3-(4-fluorophenyl)-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]acrylamide
CID 1212752
4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide
CID 2900568
N-(3-phenylpropyl)oxane-4-carboxamide
CID 51354589
N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)cinnamamide
CID 846516
2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 709759
4-Phenyl-tetrahydro-pyran-4-carboxylic acid isopropylamide
CID 972737
1-benzyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-4-carboxamide
CID 48830232
N'-{[4-(4-fluorophenyl)oxan-4-yl]methyl}-N-(2-methoxyethyl)ethanediamide
CID 27453105
N-[2-(dimethylamino)ethyl]-4-(2-methylphenyl)oxane-4-carboxamide
CID 53505375
4-(2-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
CID 53505600
N-(2-methoxyethyl)-4-(2-methylphenyl)oxane-4-carboxamide
CID 53515673

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclopentanecarboxamide (CID 27450040) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclopentanecarboxamide is O=C(NCC1(c2ccc(F)cc2)CCOCC1)C1CCCC1.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclopentanecarboxamide?
The InChIKey is MDMRCUYHJBBKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c19-16-7-5-15(6-8-16)18(9-11-22-12-10-18)13-20-17(21)14-3-1-2-4-14/h5-8,14H,1-4,9-13H2,(H,20,21).
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclopentanecarboxamide?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclopentanecarboxamide has a molecular weight of 305.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 27450040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).