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

C22H25F2NO3 — CID 110155019

IUPACN-[(2R,4S,6S)-2-(2-fluoro-4-methoxyphenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]propanamide
SMILESCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(OC)cc2F)C1
InChIInChI=1S/C22H25F2NO3/c1-4-21(26)25-22(2)12-19(14-5-7-15(23)8-6-14)28-20(13-22)17-10-9-16(27-3)11-18(17)24/h5-11,19-20H,4,12-13H2,1-3H3,(H,25,26)/t19-,20+,22-/m0/s1
InChIKeyNDYFWSHLJWYFGK-VWPQPMDRSA-N
MW389.44 g/mol
LogP4.85
Rot. Bonds5

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

N-[(2R,4S,6S)-2-(2-fluoro-4-methoxyphenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]propanamide (PubChem CID 110155019) has the molecular formula C22H25F2NO3 and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[(2R,4S,6S)-2-(2-fluoro-4-methoxyphenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]propanamide.

Molecular Properties

Compound NameN-[(2R,4S,6S)-2-(2-fluoro-4-methoxyphenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]propanamide
PubChem CID110155019
Molecular FormulaC22H25F2NO3
Molecular Weight389.44 g/mol
Exact Mass389.18
IUPAC NameN-[(2R,4S,6S)-2-(2-fluoro-4-methoxyphenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]propanamide
SMILESCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(OC)cc2F)C1
InChIInChI=1S/C22H25F2NO3/c1-4-21(26)25-22(2)12-19(14-5-7-15(23)8-6-14)28-20(13-22)17-10-9-16(27-3)11-18(17)24/h5-11,19-20H,4,12-13H2,1-3H3,(H,25,26)/t19-,20+,22-/m0/s1
InChIKeyNDYFWSHLJWYFGK-VWPQPMDRSA-N
XLogP4.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,4S,6S)-2-(4-chloro-2-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155056
N-[(2S,4S,6R)-2-(4-fluorophenyl)-4-methyl-6-(4-methylsulfonylphenyl)oxan-4-yl]propanamide
CID 110155023
N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3,4-difluorophenyl)-4-methyloxan-4-yl]propanamide
CID 110155085
N-[(2R,4S,6S)-2-(4-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155129
N-[(2R,4S,6S)-2-(3-chloro-4-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155055
N-[(2R,4S,6S)-2-(4-chloro-2-fluorophenyl)-6-(3-chlorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155166
N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2,5-difluorophenyl)-4-methyloxan-4-yl]acetamide
CID 110155068
N-[(2S,6R)-2,6-bis(3-chlorophenyl)-4-methyloxan-4-yl]propanamide
CID 110155144
2-(4-chlorophenyl)-N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]acetamide
CID 129459192
N-[(2S,4S,6R)-2-(3-chlorophenyl)-6-(2,4-difluorophenyl)-4-methyloxan-4-yl]-2-methylpropanamide
CID 110155150
N-[(2R,4S,6S)-2-(4-chloro-2-fluorophenyl)-6-(3-chlorophenyl)-4-methyloxan-4-yl]acetamide
CID 110155138
N-[(2R,4R,6S)-2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-2-methylpropanamide
CID 110155192

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S,6S)-2-(2-fluoro-4-methoxyphenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]propanamide?
The IUPAC name of N-[(2R,4S,6S)-2-(2-fluoro-4-methoxyphenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]propanamide (CID 110155019) is N-[(2R,4S,6S)-2-(2-fluoro-4-methoxyphenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]propanamide.
What is the SMILES notation for N-[(2R,4S,6S)-2-(2-fluoro-4-methoxyphenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]propanamide?
The canonical SMILES for N-[(2R,4S,6S)-2-(2-fluoro-4-methoxyphenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]propanamide is CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(OC)cc2F)C1.
What is the InChIKey of N-[(2R,4S,6S)-2-(2-fluoro-4-methoxyphenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]propanamide?
The InChIKey is NDYFWSHLJWYFGK-VWPQPMDRSA-N. The full InChI is InChI=1S/C22H25F2NO3/c1-4-21(26)25-22(2)12-19(14-5-7-15(23)8-6-14)28-20(13-22)17-10-9-16(27-3)11-18(17)24/h5-11,19-20H,4,12-13H2,1-3H3,(H,25,26)/t19-,20+,22-/m0/s1.
What are the key properties of N-[(2R,4S,6S)-2-(2-fluoro-4-methoxyphenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]propanamide?
N-[(2R,4S,6S)-2-(2-fluoro-4-methoxyphenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]propanamide has a molecular weight of 389.44 g/mol, XLogP of 4.85, 5 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-fluoro-4-methoxyphenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]propanamide is sourced from PubChem (CID 110155019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).