N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2,5-difluorophenyl)-4-methyloxan-4-yl]acetamide

C20H20ClF2NO2 — CID 110155068

IUPACN-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2,5-difluorophenyl)-4-methyloxan-4-yl]acetamide
SMILESCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cc(F)ccc2F)C1
InChIInChI=1S/C20H20ClF2NO2/c1-12(25)24-20(2)10-18(13-3-5-14(21)6-4-13)26-19(11-20)16-9-15(22)7-8-17(16)23/h3-9,18-19H,10-11H2,1-2H3,(H,24,25)/t18-,19+,20-/m0/s1
InChIKeyYTWWNAWYYATECI-ZCNNSNEGSA-N
MW379.83 g/mol
LogP5.11
Rot. Bonds3

About N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2,5-difluorophenyl)-4-methyloxan-4-yl]acetamide

N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2,5-difluorophenyl)-4-methyloxan-4-yl]acetamide (PubChem CID 110155068) has the molecular formula C20H20ClF2NO2 and a molecular weight of 379.83 g/mol. Its IUPAC name is N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2,5-difluorophenyl)-4-methyloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2,5-difluorophenyl)-4-methyloxan-4-yl]acetamide
PubChem CID110155068
Molecular FormulaC20H20ClF2NO2
Molecular Weight379.83 g/mol
Exact Mass379.12
IUPAC NameN-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2,5-difluorophenyl)-4-methyloxan-4-yl]acetamide
SMILESCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cc(F)ccc2F)C1
InChIInChI=1S/C20H20ClF2NO2/c1-12(25)24-20(2)10-18(13-3-5-14(21)6-4-13)26-19(11-20)16-9-15(22)7-8-17(16)23/h3-9,18-19H,10-11H2,1-2H3,(H,24,25)/t18-,19+,20-/m0/s1
InChIKeyYTWWNAWYYATECI-ZCNNSNEGSA-N
XLogP5.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.83
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2,5-difluorophenyl)-4-methyloxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2,5-difluorophenyl)-4-methyloxan-4-yl]acetamide (CID 110155068) is N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2,5-difluorophenyl)-4-methyloxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2,5-difluorophenyl)-4-methyloxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2,5-difluorophenyl)-4-methyloxan-4-yl]acetamide is CC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cc(F)ccc2F)C1.
What is the InChIKey of N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2,5-difluorophenyl)-4-methyloxan-4-yl]acetamide?
The InChIKey is YTWWNAWYYATECI-ZCNNSNEGSA-N. The full InChI is InChI=1S/C20H20ClF2NO2/c1-12(25)24-20(2)10-18(13-3-5-14(21)6-4-13)26-19(11-20)16-9-15(22)7-8-17(16)23/h3-9,18-19H,10-11H2,1-2H3,(H,24,25)/t18-,19+,20-/m0/s1.
What are the key properties of N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2,5-difluorophenyl)-4-methyloxan-4-yl]acetamide?
N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2,5-difluorophenyl)-4-methyloxan-4-yl]acetamide has a molecular weight of 379.83 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2,5-difluorophenyl)-4-methyloxan-4-yl]acetamide is sourced from PubChem (CID 110155068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).