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

C22H25F2NO3 — CID 110155043

IUPACN-[(2R,4S,6S)-2-(3-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](c2cccc(F)c2)C1
InChIInChI=1S/C22H25F2NO3/c1-22(25-21(26)10-11-27-2)13-19(15-6-8-17(23)9-7-15)28-20(14-22)16-4-3-5-18(24)12-16/h3-9,12,19-20H,10-11,13-14H2,1-2H3,(H,25,26)/t19-,20+,22-/m0/s1
InChIKeyNDEODXIFZMGBJR-VWPQPMDRSA-N
MW389.44 g/mol
LogP4.47
Rot. Bonds6

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

N-[(2R,4S,6S)-2-(3-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide (PubChem CID 110155043) has the molecular formula C22H25F2NO3 and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[(2R,4S,6S)-2-(3-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(2R,4S,6S)-2-(3-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
PubChem CID110155043
Molecular FormulaC22H25F2NO3
Molecular Weight389.44 g/mol
Exact Mass389.18
IUPAC NameN-[(2R,4S,6S)-2-(3-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](c2cccc(F)c2)C1
InChIInChI=1S/C22H25F2NO3/c1-22(25-21(26)10-11-27-2)13-19(15-6-8-17(23)9-7-15)28-20(14-22)16-4-3-5-18(24)12-16/h3-9,12,19-20H,10-11,13-14H2,1-2H3,(H,25,26)/t19-,20+,22-/m0/s1
InChIKeyNDEODXIFZMGBJR-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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Related Compounds

4-[Bis(4-fluorophenyl)methoxy]piperidine
CID 13105632
N-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
CID 57328561
N-[(2R,6S)-2,6-diphenyloxan-4-yl]acetamide
CID 12601075
N-[(2S*,4R*,6S*)-2-(2,6-difluorophenyl)-6-(2-phenylethyl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50949704
N-[(2S*,4R*,6S*)-2-benzyl-6-(3-fluoro-5-methylphenyl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50951113
N-{(2S*,4R*,6S*)-2-benzyl-6-[(E)-2-phenylvinyl]tetrahydro-2H-pyran-4-yl}acetamide
CID 50952576
N-[(2S,4R,6R)-2-(2-phenylphenyl)-6-propan-2-yloxan-4-yl]acetamide
CID 50960196
N-[(2R*,4R*,6S*)-2-cyclohexyl-6-(3-fluoro-5-methylphenyl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50964244
N-[(2R*,4R*,6S*)-2-(3,5-difluorophenyl)-6-(2,6-dimethylphenyl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50968708
N-[(2R,4R,4aS,8aR)-2-(2-fluorophenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide
CID 110133955
N-[(2R,4R,4aS,8aR)-2-(4-fluorophenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide
CID 110133957
N-[(2R,4R,4aS,8aR)-2-(2,6-difluorophenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide
CID 110133976

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S,6S)-2-(3-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide?
The IUPAC name of N-[(2R,4S,6S)-2-(3-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide (CID 110155043) is N-[(2R,4S,6S)-2-(3-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(2R,4S,6S)-2-(3-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(2R,4S,6S)-2-(3-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](c2cccc(F)c2)C1.
What is the InChIKey of N-[(2R,4S,6S)-2-(3-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide?
The InChIKey is NDEODXIFZMGBJR-VWPQPMDRSA-N. The full InChI is InChI=1S/C22H25F2NO3/c1-22(25-21(26)10-11-27-2)13-19(15-6-8-17(23)9-7-15)28-20(14-22)16-4-3-5-18(24)12-16/h3-9,12,19-20H,10-11,13-14H2,1-2H3,(H,25,26)/t19-,20+,22-/m0/s1.
What are the key properties of N-[(2R,4S,6S)-2-(3-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide?
N-[(2R,4S,6S)-2-(3-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-(3-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide is sourced from PubChem (CID 110155043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).