N-[(2R,6S)-2,6-bis(4-fluorophenyl)oxan-4-yl]acetamide

C19H19F2NO2 — CID 25098820

IUPACN-[(2R,6S)-2,6-bis(4-fluorophenyl)oxan-4-yl]acetamide
SMILESCC(=O)NC1C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H19F2NO2/c1-12(23)22-17-10-18(13-2-6-15(20)7-3-13)24-19(11-17)14-4-8-16(21)9-5-14/h2-9,17-19H,10-11H2,1H3,(H,22,23)/t17?,18-,19+
InChIKeyJWMAWAZTXHMREQ-YQQQUEKLSA-N
MW331.36 g/mol
LogP4.06
Rot. Bonds3

About N-[(2R,6S)-2,6-bis(4-fluorophenyl)oxan-4-yl]acetamide

N-[(2R,6S)-2,6-bis(4-fluorophenyl)oxan-4-yl]acetamide (PubChem CID 25098820) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is N-[(2R,6S)-2,6-bis(4-fluorophenyl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,6S)-2,6-bis(4-fluorophenyl)oxan-4-yl]acetamide
PubChem CID25098820
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC NameN-[(2R,6S)-2,6-bis(4-fluorophenyl)oxan-4-yl]acetamide
SMILESCC(=O)NC1C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H19F2NO2/c1-12(23)22-17-10-18(13-2-6-15(20)7-3-13)24-19(11-17)14-4-8-16(21)9-5-14/h2-9,17-19H,10-11H2,1H3,(H,22,23)/t17?,18-,19+
InChIKeyJWMAWAZTXHMREQ-YQQQUEKLSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R,4S,6S)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide
CID 133115603
2-[2-[(2R,4S,6S)-4-acetamido-6-phenyloxan-2-yl]-5-fluorophenoxy]acetic acid
CID 110166476
(2R,6S)-4-chloro-2,6-bis(4-fluorophenyl)oxane
CID 10892229
N-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide
CID 102475457
N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide
CID 133138062
N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-ethyl-5-methyl-1H-imidazol-4-yl)oxan-4-yl]acetamide
CID 50964703
(2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine
CID 95335747
N-[(2R,4R,6S)-2-(4-hydroxyphenyl)-6-(1-methylbenzotriazol-5-yl)oxan-4-yl]acetamide
CID 137496155
N-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide
CID 50959656
4-[(2S,4R,6S)-4-acetamido-6-(2-phenylethyl)oxan-2-yl]benzoic acid
CID 50977390
[5-(4-fluorophenyl)oxolan-2-yl]urea
CID 163862675
N-[(3S)-1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]piperidin-3-yl]acetamide
CID 124831920

Frequently Asked Questions

What is the IUPAC name of N-[(2R,6S)-2,6-bis(4-fluorophenyl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2R,6S)-2,6-bis(4-fluorophenyl)oxan-4-yl]acetamide (CID 25098820) is N-[(2R,6S)-2,6-bis(4-fluorophenyl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,6S)-2,6-bis(4-fluorophenyl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,6S)-2,6-bis(4-fluorophenyl)oxan-4-yl]acetamide is CC(=O)NC1C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of N-[(2R,6S)-2,6-bis(4-fluorophenyl)oxan-4-yl]acetamide?
The InChIKey is JWMAWAZTXHMREQ-YQQQUEKLSA-N. The full InChI is InChI=1S/C19H19F2NO2/c1-12(23)22-17-10-18(13-2-6-15(20)7-3-13)24-19(11-17)14-4-8-16(21)9-5-14/h2-9,17-19H,10-11H2,1H3,(H,22,23)/t17?,18-,19+.
What are the key properties of N-[(2R,6S)-2,6-bis(4-fluorophenyl)oxan-4-yl]acetamide?
N-[(2R,6S)-2,6-bis(4-fluorophenyl)oxan-4-yl]acetamide has a molecular weight of 331.36 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,6S)-2,6-bis(4-fluorophenyl)oxan-4-yl]acetamide is sourced from PubChem (CID 25098820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).