2,2,2-trichloro-N-[(2S)-2-hydroxy-2-[(2S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]ethyl]acetamide

C11H18Cl3NO4 — CID 12966162

IUPAC2,2,2-trichloro-N-[(2S)-2-hydroxy-2-[(2S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]ethyl]acetamide
SMILESCC[C@H](O)[C@H]1CC[C@@H]([C@@H](O)CNC(=O)C(Cl)(Cl)Cl)O1
InChIInChI=1S/C11H18Cl3NO4/c1-2-6(16)8-3-4-9(19-8)7(17)5-15-10(18)11(12,13)14/h6-9,16-17H,2-5H2,1H3,(H,15,18)/t6-,7-,8+,9-/m0/s1
InChIKeyMSBSRYJORJUABN-MAUMQABQSA-N
MW334.63 g/mol
LogP1.15
Rot. Bonds5

About 2,2,2-trichloro-N-[(2S)-2-hydroxy-2-[(2S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]ethyl]acetamide

2,2,2-trichloro-N-[(2S)-2-hydroxy-2-[(2S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]ethyl]acetamide (PubChem CID 12966162) has the molecular formula C11H18Cl3NO4 and a molecular weight of 334.63 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[(2S)-2-hydroxy-2-[(2S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[(2S)-2-hydroxy-2-[(2S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]ethyl]acetamide
PubChem CID12966162
Molecular FormulaC11H18Cl3NO4
Molecular Weight334.63 g/mol
Exact Mass333.03
IUPAC Name2,2,2-trichloro-N-[(2S)-2-hydroxy-2-[(2S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]ethyl]acetamide
SMILESCC[C@H](O)[C@H]1CC[C@@H]([C@@H](O)CNC(=O)C(Cl)(Cl)Cl)O1
InChIInChI=1S/C11H18Cl3NO4/c1-2-6(16)8-3-4-9(19-8)7(17)5-15-10(18)11(12,13)14/h6-9,16-17H,2-5H2,1H3,(H,15,18)/t6-,7-,8+,9-/m0/s1
InChIKeyMSBSRYJORJUABN-MAUMQABQSA-N
XLogP1.15
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.63
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trichloro-N-[2-hydroxy-3-[(2,2,2-trichloroacetyl)amino]propyl]acetamide
CID 10937789
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylbutanamide
CID 79814450
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
CID 63297255
N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylbutanamide
CID 63294520
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
CID 63296375
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 95292122
2-bromo-N-(2,2-dicyclopropylethyl)-2-methylpropanamide
CID 114328830
2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
CID 80556787
2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)butanamide
CID 65227956
1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63298478
2,2,2-trichloro-N-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide
CID 11231660
2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide
CID 101149800

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[(2S)-2-hydroxy-2-[(2S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]ethyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[(2S)-2-hydroxy-2-[(2S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]ethyl]acetamide (CID 12966162) is 2,2,2-trichloro-N-[(2S)-2-hydroxy-2-[(2S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[(2S)-2-hydroxy-2-[(2S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[(2S)-2-hydroxy-2-[(2S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]ethyl]acetamide is CC[C@H](O)[C@H]1CC[C@@H]([C@@H](O)CNC(=O)C(Cl)(Cl)Cl)O1.
What is the InChIKey of 2,2,2-trichloro-N-[(2S)-2-hydroxy-2-[(2S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]ethyl]acetamide?
The InChIKey is MSBSRYJORJUABN-MAUMQABQSA-N. The full InChI is InChI=1S/C11H18Cl3NO4/c1-2-6(16)8-3-4-9(19-8)7(17)5-15-10(18)11(12,13)14/h6-9,16-17H,2-5H2,1H3,(H,15,18)/t6-,7-,8+,9-/m0/s1.
What are the key properties of 2,2,2-trichloro-N-[(2S)-2-hydroxy-2-[(2S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]ethyl]acetamide?
2,2,2-trichloro-N-[(2S)-2-hydroxy-2-[(2S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]ethyl]acetamide has a molecular weight of 334.63 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[(2S)-2-hydroxy-2-[(2S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]ethyl]acetamide is sourced from PubChem (CID 12966162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).