N-[(2R,4S,6S)-2-(2-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide

C22H25F2NO3 — CID 110155045

IUPACN-[(2R,4S,6S)-2-(2-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccccc2F)C1
InChIInChI=1S/C22H25F2NO3/c1-22(25-21(26)11-12-27-2)13-19(15-7-9-16(23)10-8-15)28-20(14-22)17-5-3-4-6-18(17)24/h3-10,19-20H,11-14H2,1-2H3,(H,25,26)/t19-,20+,22-/m0/s1
InChIKeyQADAKJHGIUGKDD-VWPQPMDRSA-N
MW389.44 g/mol
LogP4.47
Rot. Bonds6

About N-[(2R,4S,6S)-2-(2-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide

N-[(2R,4S,6S)-2-(2-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide (PubChem CID 110155045) has the molecular formula C22H25F2NO3 and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[(2R,4S,6S)-2-(2-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(2R,4S,6S)-2-(2-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
PubChem CID110155045
Molecular FormulaC22H25F2NO3
Molecular Weight389.44 g/mol
Exact Mass389.18
IUPAC NameN-[(2R,4S,6S)-2-(2-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccccc2F)C1
InChIInChI=1S/C22H25F2NO3/c1-22(25-21(26)11-12-27-2)13-19(15-7-9-16(23)10-8-15)28-20(14-22)17-5-3-4-6-18(17)24/h3-10,19-20H,11-14H2,1-2H3,(H,25,26)/t19-,20+,22-/m0/s1
InChIKeyQADAKJHGIUGKDD-VWPQPMDRSA-N
XLogP4.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S,6S)-2-(2-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide?
The IUPAC name of N-[(2R,4S,6S)-2-(2-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide (CID 110155045) is N-[(2R,4S,6S)-2-(2-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(2R,4S,6S)-2-(2-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(2R,4S,6S)-2-(2-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide is COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccccc2F)C1.
What is the InChIKey of N-[(2R,4S,6S)-2-(2-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide?
The InChIKey is QADAKJHGIUGKDD-VWPQPMDRSA-N. The full InChI is InChI=1S/C22H25F2NO3/c1-22(25-21(26)11-12-27-2)13-19(15-7-9-16(23)10-8-15)28-20(14-22)17-5-3-4-6-18(17)24/h3-10,19-20H,11-14H2,1-2H3,(H,25,26)/t19-,20+,22-/m0/s1.
What are the key properties of N-[(2R,4S,6S)-2-(2-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide?
N-[(2R,4S,6S)-2-(2-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide has a molecular weight of 389.44 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S,6S)-2-(2-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide is sourced from PubChem (CID 110155045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).