N-[(2S,4R,6S)-2-benzyl-6-(4-chlorophenyl)oxan-4-yl]acetamide

C20H22ClNO2 — CID 50950810

IUPACN-[(2S,4R,6S)-2-benzyl-6-(4-chlorophenyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClNO2/c1-14(23)22-18-12-19(11-15-5-3-2-4-6-15)24-20(13-18)16-7-9-17(21)10-8-16/h2-10,18-20H,11-13H2,1H3,(H,22,23)/t18-,19+,20+/m1/s1
InChIKeyNOSVYIFDHRPAFF-AABGKKOBSA-N
MW343.85 g/mol
LogP4.31
Rot. Bonds4

About N-[(2S,4R,6S)-2-benzyl-6-(4-chlorophenyl)oxan-4-yl]acetamide

N-[(2S,4R,6S)-2-benzyl-6-(4-chlorophenyl)oxan-4-yl]acetamide (PubChem CID 50950810) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is N-[(2S,4R,6S)-2-benzyl-6-(4-chlorophenyl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,6S)-2-benzyl-6-(4-chlorophenyl)oxan-4-yl]acetamide
PubChem CID50950810
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC NameN-[(2S,4R,6S)-2-benzyl-6-(4-chlorophenyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClNO2/c1-14(23)22-18-12-19(11-15-5-3-2-4-6-15)24-20(13-18)16-7-9-17(21)10-8-16/h2-10,18-20H,11-13H2,1H3,(H,22,23)/t18-,19+,20+/m1/s1
InChIKeyNOSVYIFDHRPAFF-AABGKKOBSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6S)-2-benzyl-6-(4-chlorophenyl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4R,6S)-2-benzyl-6-(4-chlorophenyl)oxan-4-yl]acetamide (CID 50950810) is N-[(2S,4R,6S)-2-benzyl-6-(4-chlorophenyl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,6S)-2-benzyl-6-(4-chlorophenyl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R,6S)-2-benzyl-6-(4-chlorophenyl)oxan-4-yl]acetamide is CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(2S,4R,6S)-2-benzyl-6-(4-chlorophenyl)oxan-4-yl]acetamide?
The InChIKey is NOSVYIFDHRPAFF-AABGKKOBSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-14(23)22-18-12-19(11-15-5-3-2-4-6-15)24-20(13-18)16-7-9-17(21)10-8-16/h2-10,18-20H,11-13H2,1H3,(H,22,23)/t18-,19+,20+/m1/s1.
What are the key properties of N-[(2S,4R,6S)-2-benzyl-6-(4-chlorophenyl)oxan-4-yl]acetamide?
N-[(2S,4R,6S)-2-benzyl-6-(4-chlorophenyl)oxan-4-yl]acetamide has a molecular weight of 343.85 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6S)-2-benzyl-6-(4-chlorophenyl)oxan-4-yl]acetamide is sourced from PubChem (CID 50950810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).