N-[(2R,6S)-2,6-bis(4-fluorophenyl)-4-methyloxan-4-yl]propanamide

C21H23F2NO2 — CID 110135535

IUPACN-[(2R,6S)-2,6-bis(4-fluorophenyl)-4-methyloxan-4-yl]propanamide
SMILESCCC(=O)NC1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C21H23F2NO2/c1-3-20(25)24-21(2)12-18(14-4-8-16(22)9-5-14)26-19(13-21)15-6-10-17(23)11-7-15/h4-11,18-19H,3,12-13H2,1-2H3,(H,24,25)/t18-,19+,21?
InChIKeyDFOWDRHUAXXGIO-PMSBKCLSSA-N
MW359.42 g/mol
LogP4.84
Rot. Bonds4

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

N-[(2R,6S)-2,6-bis(4-fluorophenyl)-4-methyloxan-4-yl]propanamide (PubChem CID 110135535) has the molecular formula C21H23F2NO2 and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[(2R,6S)-2,6-bis(4-fluorophenyl)-4-methyloxan-4-yl]propanamide.

Molecular Properties

Compound NameN-[(2R,6S)-2,6-bis(4-fluorophenyl)-4-methyloxan-4-yl]propanamide
PubChem CID110135535
Molecular FormulaC21H23F2NO2
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC NameN-[(2R,6S)-2,6-bis(4-fluorophenyl)-4-methyloxan-4-yl]propanamide
SMILESCCC(=O)NC1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C21H23F2NO2/c1-3-20(25)24-21(2)12-18(14-4-8-16(22)9-5-14)26-19(13-21)15-6-10-17(23)11-7-15/h4-11,18-19H,3,12-13H2,1-2H3,(H,24,25)/t18-,19+,21?
InChIKeyDFOWDRHUAXXGIO-PMSBKCLSSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,6S)-2,6-bis(4-fluorophenyl)-4-methyloxan-4-yl]propanamide?
The IUPAC name of N-[(2R,6S)-2,6-bis(4-fluorophenyl)-4-methyloxan-4-yl]propanamide (CID 110135535) is N-[(2R,6S)-2,6-bis(4-fluorophenyl)-4-methyloxan-4-yl]propanamide.
What is the SMILES notation for N-[(2R,6S)-2,6-bis(4-fluorophenyl)-4-methyloxan-4-yl]propanamide?
The canonical SMILES for N-[(2R,6S)-2,6-bis(4-fluorophenyl)-4-methyloxan-4-yl]propanamide is CCC(=O)NC1(C)C[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)-4-methyloxan-4-yl]propanamide?
The InChIKey is DFOWDRHUAXXGIO-PMSBKCLSSA-N. The full InChI is InChI=1S/C21H23F2NO2/c1-3-20(25)24-21(2)12-18(14-4-8-16(22)9-5-14)26-19(13-21)15-6-10-17(23)11-7-15/h4-11,18-19H,3,12-13H2,1-2H3,(H,24,25)/t18-,19+,21?.
What are the key properties of N-[(2R,6S)-2,6-bis(4-fluorophenyl)-4-methyloxan-4-yl]propanamide?
N-[(2R,6S)-2,6-bis(4-fluorophenyl)-4-methyloxan-4-yl]propanamide has a molecular weight of 359.42 g/mol, XLogP of 4.84, 4 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)-4-methyloxan-4-yl]propanamide is sourced from PubChem (CID 110135535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).