2,2,2-trichloro-N-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide

C8H12Cl3NO4 — CID 11231660

IUPAC2,2,2-trichloro-N-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide
SMILESC[C@]1(CNC(=O)C(Cl)(Cl)Cl)OC[C@@H](O)[C@H]1O
InChIInChI=1S/C8H12Cl3NO4/c1-7(5(14)4(13)2-16-7)3-12-6(15)8(9,10)11/h4-5,13-14H,2-3H2,1H3,(H,12,15)/t4-,5-,7-/m1/s1
InChIKeyNWLDLENODXFOAB-WYDQCIBASA-N
MW292.55 g/mol
LogP-0.02
Rot. Bonds2

About 2,2,2-trichloro-N-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide

2,2,2-trichloro-N-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide (PubChem CID 11231660) has the molecular formula C8H12Cl3NO4 and a molecular weight of 292.55 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide
PubChem CID11231660
Molecular FormulaC8H12Cl3NO4
Molecular Weight292.55 g/mol
Exact Mass290.98
IUPAC Name2,2,2-trichloro-N-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide
SMILESC[C@]1(CNC(=O)C(Cl)(Cl)Cl)OC[C@@H](O)[C@H]1O
InChIInChI=1S/C8H12Cl3NO4/c1-7(5(14)4(13)2-16-7)3-12-6(15)8(9,10)11/h4-5,13-14H,2-3H2,1H3,(H,12,15)/t4-,5-,7-/m1/s1
InChIKeyNWLDLENODXFOAB-WYDQCIBASA-N
XLogP-0.02
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.55
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,2-trichloro-N-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trichloro-N-[[(1S)-1-methylcyclopent-2-en-1-yl]methyl]acetamide
CID 101149803
[(2R,3S,4S)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl benzoate
CID 170219507
2,2,2-trichloro-N-[[1,3,3-trimethyl-5-[(2,2,2-trichloroacetyl)amino]cyclohexyl]methyl]acetamide
CID 3710532
4-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methylcarbamoyl]benzoic acid
CID 166394121
(2S)-2-[[(2S,3R,4R)-2,3,4-trihydroxyoxolan-2-yl]methylamino]propanoic acid
CID 100966866
2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 131154136
2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide
CID 101149800
N-[2-[(3S)-3,4,5-trihydroxy-2-methyloxan-3-yl]ethyl]acetamide
CID 134582219
(2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol
CID 102312079
2-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid
CID 139088476
4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103762524
1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea
CID 130621364

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide (CID 11231660) is 2,2,2-trichloro-N-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide is C[C@]1(CNC(=O)C(Cl)(Cl)Cl)OC[C@@H](O)[C@H]1O.
What is the InChIKey of 2,2,2-trichloro-N-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide?
The InChIKey is NWLDLENODXFOAB-WYDQCIBASA-N. The full InChI is InChI=1S/C8H12Cl3NO4/c1-7(5(14)4(13)2-16-7)3-12-6(15)8(9,10)11/h4-5,13-14H,2-3H2,1H3,(H,12,15)/t4-,5-,7-/m1/s1.
What are the key properties of 2,2,2-trichloro-N-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide?
2,2,2-trichloro-N-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide has a molecular weight of 292.55 g/mol, XLogP of -0.02, 2 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-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 11231660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).