N-[(2S,4R,6R)-2-(6-chloro-2-fluoro-3-methylphenyl)-6-propan-2-yloxan-4-yl]acetamide

C17H23ClFNO2 — CID 50953176

IUPACN-[(2S,4R,6R)-2-(6-chloro-2-fluoro-3-methylphenyl)-6-propan-2-yloxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2c(Cl)ccc(C)c2F)O[C@@H](C(C)C)C1
InChIInChI=1S/C17H23ClFNO2/c1-9(2)14-7-12(20-11(4)21)8-15(22-14)16-13(18)6-5-10(3)17(16)19/h5-6,9,12,14-15H,7-8H2,1-4H3,(H,20,21)/t12-,14-,15+/m1/s1
InChIKeyUMBKMJPZMQJJHA-YUELXQCFSA-N
MW327.83 g/mol
LogP4.17
Rot. Bonds3

About N-[(2S,4R,6R)-2-(6-chloro-2-fluoro-3-methylphenyl)-6-propan-2-yloxan-4-yl]acetamide

N-[(2S,4R,6R)-2-(6-chloro-2-fluoro-3-methylphenyl)-6-propan-2-yloxan-4-yl]acetamide (PubChem CID 50953176) has the molecular formula C17H23ClFNO2 and a molecular weight of 327.83 g/mol. Its IUPAC name is N-[(2S,4R,6R)-2-(6-chloro-2-fluoro-3-methylphenyl)-6-propan-2-yloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,6R)-2-(6-chloro-2-fluoro-3-methylphenyl)-6-propan-2-yloxan-4-yl]acetamide
PubChem CID50953176
Molecular FormulaC17H23ClFNO2
Molecular Weight327.83 g/mol
Exact Mass327.14
IUPAC NameN-[(2S,4R,6R)-2-(6-chloro-2-fluoro-3-methylphenyl)-6-propan-2-yloxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2c(Cl)ccc(C)c2F)O[C@@H](C(C)C)C1
InChIInChI=1S/C17H23ClFNO2/c1-9(2)14-7-12(20-11(4)21)8-15(22-14)16-13(18)6-5-10(3)17(16)19/h5-6,9,12,14-15H,7-8H2,1-4H3,(H,20,21)/t12-,14-,15+/m1/s1
InChIKeyUMBKMJPZMQJJHA-YUELXQCFSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6R)-2-(6-chloro-2-fluoro-3-methylphenyl)-6-propan-2-yloxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4R,6R)-2-(6-chloro-2-fluoro-3-methylphenyl)-6-propan-2-yloxan-4-yl]acetamide (CID 50953176) is N-[(2S,4R,6R)-2-(6-chloro-2-fluoro-3-methylphenyl)-6-propan-2-yloxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,6R)-2-(6-chloro-2-fluoro-3-methylphenyl)-6-propan-2-yloxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R,6R)-2-(6-chloro-2-fluoro-3-methylphenyl)-6-propan-2-yloxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](c2c(Cl)ccc(C)c2F)O[C@@H](C(C)C)C1.
What is the InChIKey of N-[(2S,4R,6R)-2-(6-chloro-2-fluoro-3-methylphenyl)-6-propan-2-yloxan-4-yl]acetamide?
The InChIKey is UMBKMJPZMQJJHA-YUELXQCFSA-N. The full InChI is InChI=1S/C17H23ClFNO2/c1-9(2)14-7-12(20-11(4)21)8-15(22-14)16-13(18)6-5-10(3)17(16)19/h5-6,9,12,14-15H,7-8H2,1-4H3,(H,20,21)/t12-,14-,15+/m1/s1.
What are the key properties of N-[(2S,4R,6R)-2-(6-chloro-2-fluoro-3-methylphenyl)-6-propan-2-yloxan-4-yl]acetamide?
N-[(2S,4R,6R)-2-(6-chloro-2-fluoro-3-methylphenyl)-6-propan-2-yloxan-4-yl]acetamide has a molecular weight of 327.83 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6R)-2-(6-chloro-2-fluoro-3-methylphenyl)-6-propan-2-yloxan-4-yl]acetamide is sourced from PubChem (CID 50953176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).