2,2,2-trichloro-N-[2-hydroxy-3-[(2,2,2-trichloroacetyl)amino]propyl]acetamide

C7H8Cl6N2O3 — CID 10937789

IUPAC2,2,2-trichloro-N-[2-hydroxy-3-[(2,2,2-trichloroacetyl)amino]propyl]acetamide
SMILESO=C(NCC(O)CNC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C7H8Cl6N2O3/c8-6(9,10)4(17)14-1-3(16)2-15-5(18)7(11,12)13/h3,16H,1-2H2,(H,14,17)(H,15,18)
InChIKeyMXURHIPRRIXCDQ-UHFFFAOYSA-N
MW380.87 g/mol
LogP1.32
Rot. Bonds4

About 2,2,2-trichloro-N-[2-hydroxy-3-[(2,2,2-trichloroacetyl)amino]propyl]acetamide

2,2,2-trichloro-N-[2-hydroxy-3-[(2,2,2-trichloroacetyl)amino]propyl]acetamide (PubChem CID 10937789) has the molecular formula C7H8Cl6N2O3 and a molecular weight of 380.87 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[2-hydroxy-3-[(2,2,2-trichloroacetyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[2-hydroxy-3-[(2,2,2-trichloroacetyl)amino]propyl]acetamide
PubChem CID10937789
Molecular FormulaC7H8Cl6N2O3
Molecular Weight380.87 g/mol
Exact Mass377.87
IUPAC Name2,2,2-trichloro-N-[2-hydroxy-3-[(2,2,2-trichloroacetyl)amino]propyl]acetamide
SMILESO=C(NCC(O)CNC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C7H8Cl6N2O3/c8-6(9,10)4(17)14-1-3(16)2-15-5(18)7(11,12)13/h3,16H,1-2H2,(H,14,17)(H,15,18)
InChIKeyMXURHIPRRIXCDQ-UHFFFAOYSA-N
XLogP1.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,3-pentafluoro-N-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide
CID 2851781
2,2,2-trichloro-N-[(2S)-2-hydroxy-2-[(2S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]ethyl]acetamide
CID 12966162
(2S)-2-deuterio-2-[(2,2,2-trichloroacetyl)amino]acetic acid
CID 134870395
2,2,2-trichloro-N-[2-[2-[(2,2,2-trichloroacetyl)amino]ethylsulfanyl]ethyl]acetamide
CID 23579838
2,2,2-trichloro-N-(2-methoxyethyl)acetamide
CID 4248140
3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide
CID 66170383
2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate
CID 2726052
2,2,2-trichloro-N-dodecylacetamide
CID 4986291
N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 59125202
6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid
CID 123706395
N-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide
CID 151069268
2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide
CID 115760355

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[2-hydroxy-3-[(2,2,2-trichloroacetyl)amino]propyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[2-hydroxy-3-[(2,2,2-trichloroacetyl)amino]propyl]acetamide (CID 10937789) is 2,2,2-trichloro-N-[2-hydroxy-3-[(2,2,2-trichloroacetyl)amino]propyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[2-hydroxy-3-[(2,2,2-trichloroacetyl)amino]propyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[2-hydroxy-3-[(2,2,2-trichloroacetyl)amino]propyl]acetamide is O=C(NCC(O)CNC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[2-hydroxy-3-[(2,2,2-trichloroacetyl)amino]propyl]acetamide?
The InChIKey is MXURHIPRRIXCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl6N2O3/c8-6(9,10)4(17)14-1-3(16)2-15-5(18)7(11,12)13/h3,16H,1-2H2,(H,14,17)(H,15,18).
What are the key properties of 2,2,2-trichloro-N-[2-hydroxy-3-[(2,2,2-trichloroacetyl)amino]propyl]acetamide?
2,2,2-trichloro-N-[2-hydroxy-3-[(2,2,2-trichloroacetyl)amino]propyl]acetamide has a molecular weight of 380.87 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[2-hydroxy-3-[(2,2,2-trichloroacetyl)amino]propyl]acetamide is sourced from PubChem (CID 10937789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).