N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide

C22H24FNO3 — CID 47070990

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)NCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C22H24FNO3/c23-19-8-6-18(7-9-19)22(12-14-27-15-13-22)16-24-21(26)11-10-20(25)17-4-2-1-3-5-17/h1-9H,10-16H2,(H,24,26)
InChIKeyJFOKMLBBPBNERY-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.65
Rot. Bonds7

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

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide (PubChem CID 47070990) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide
PubChem CID47070990
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)NCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C22H24FNO3/c23-19-8-6-18(7-9-19)22(12-14-27-15-13-22)16-24-21(26)11-10-20(25)17-4-2-1-3-5-17/h1-9H,10-16H2,(H,24,26)
InChIKeyJFOKMLBBPBNERY-UHFFFAOYSA-N
XLogP3.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
CID 120561270
3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide
CID 47070997
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide
CID 56562979
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 46417934
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55849523
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 171138751
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-(3-methylphenyl)acetamide
CID 27450137

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide (CID 47070990) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide is O=C(CCC(=O)c1ccccc1)NCC1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide?
The InChIKey is JFOKMLBBPBNERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3/c23-19-8-6-18(7-9-19)22(12-14-27-15-13-22)16-24-21(26)11-10-20(25)17-4-2-1-3-5-17/h1-9H,10-16H2,(H,24,26).
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide has a molecular weight of 369.44 g/mol, XLogP of 3.65, 7 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]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 47070990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).