2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide

C8H13Cl3N2O2 — CID 3533686

IUPAC2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(NCCN1CCOCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H13Cl3N2O2/c9-8(10,11)7(14)12-1-2-13-3-5-15-6-4-13/h1-6H2,(H,12,14)
InChIKeySXANUZDUHWFMNM-UHFFFAOYSA-N
MW275.56 g/mol
LogP0.81
Rot. Bonds3

About 2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide

2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 3533686) has the molecular formula C8H13Cl3N2O2 and a molecular weight of 275.56 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID3533686
Molecular FormulaC8H13Cl3N2O2
Molecular Weight275.56 g/mol
Exact Mass274.00
IUPAC Name2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(NCCN1CCOCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H13Cl3N2O2/c9-8(10,11)7(14)12-1-2-13-3-5-15-6-4-13/h1-6H2,(H,12,14)
InChIKeySXANUZDUHWFMNM-UHFFFAOYSA-N
XLogP0.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.56
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 7375443
2,2,2-trichloro-N-[3-[4-[3-[(2,2,2-trichloroacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
CID 5084928
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108958733
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide
CID 108960403
(2R)-2,3-dichloro-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 7375440
4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride
CID 39256191
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide
CID 58855436
2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide
CID 58855463
3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108943424
(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699
N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
CID 108517732

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide (CID 3533686) is 2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide is O=C(NCCN1CCOCC1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is SXANUZDUHWFMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl3N2O2/c9-8(10,11)7(14)12-1-2-13-3-5-15-6-4-13/h1-6H2,(H,12,14).
What are the key properties of 2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide?
2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 275.56 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 3533686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).