N-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide

C26H26FNO2 — CID 69177779

IUPACN-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1
InChIInChI=1S/C26H26FNO2/c27-22-13-11-19(12-14-22)17-25(29)28-23-15-16-24(30-18-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-24,26H,15-18H2,(H,28,29)/t23?,24-/m0/s1
InChIKeySAOLEJAWCBSTCJ-CGAIIQECSA-N
MW403.50 g/mol
LogP4.86
Rot. Bonds6

About N-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide

N-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 69177779) has the molecular formula C26H26FNO2 and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide
PubChem CID69177779
Molecular FormulaC26H26FNO2
Molecular Weight403.50 g/mol
Exact Mass403.19
IUPAC NameN-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1
InChIInChI=1S/C26H26FNO2/c27-22-13-11-19(12-14-22)17-25(29)28-23-15-16-24(30-18-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-24,26H,15-18H2,(H,28,29)/t23?,24-/m0/s1
InChIKeySAOLEJAWCBSTCJ-CGAIIQECSA-N
XLogP4.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide (CID 69177779) is N-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NC1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1.
What is the InChIKey of N-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is SAOLEJAWCBSTCJ-CGAIIQECSA-N. The full InChI is InChI=1S/C26H26FNO2/c27-22-13-11-19(12-14-22)17-25(29)28-23-15-16-24(30-18-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-24,26H,15-18H2,(H,28,29)/t23?,24-/m0/s1.
What are the key properties of N-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide?
N-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 403.50 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-6-benzhydryloxan-3-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 69177779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).