N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide

C27H28FNO2 — CID 27456804

IUPACN-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C27H28FNO2/c28-24-13-11-23(12-14-24)27(16-19-31-20-17-27)26(30)29-18-15-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H,29,30)
InChIKeyUUZHJRYBECAYGI-UHFFFAOYSA-N
MW417.52 g/mol
LogP5.21
Rot. Bonds7

About N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide

N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide (PubChem CID 27456804) has the molecular formula C27H28FNO2 and a molecular weight of 417.52 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide
PubChem CID27456804
Molecular FormulaC27H28FNO2
Molecular Weight417.52 g/mol
Exact Mass417.21
IUPAC NameN-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C27H28FNO2/c28-24-13-11-23(12-14-24)27(16-19-31-20-17-27)26(30)29-18-15-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H,29,30)
InChIKeyUUZHJRYBECAYGI-UHFFFAOYSA-N
XLogP5.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.52
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide
CID 96568311
4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]butanoic acid
CID 119128032
2-benzyl-3-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]propanoic acid
CID 119233889
N-[2-(4-aminophenyl)ethyl]-4-(4-fluorophenyl)oxane-4-carboxamide;hydrochloride
CID 119547579
N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 138993452
4-[[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]methyl]benzoic acid
CID 119128001
4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94674202
4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide
CID 91959194
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide
CID 90516201
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide
CID 97414295
4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 27456725
1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
CID 32935327

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide (CID 27456804) is N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)C1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide?
The InChIKey is UUZHJRYBECAYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FNO2/c28-24-13-11-23(12-14-24)27(16-19-31-20-17-27)26(30)29-18-15-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H,29,30).
What are the key properties of N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide?
N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 27456804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).