2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide

C7H10Cl3NO2 — CID 87995485

IUPAC2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide
SMILESC=COCCCNC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C7H10Cl3NO2/c1-2-13-5-3-4-11-6(12)7(8,9)10/h2H,1,3-5H2,(H,11,12)
InChIKeyNUIAQEJUSIZORQ-UHFFFAOYSA-N
MW246.52 g/mol
LogP2.02
Rot. Bonds5

About 2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide

2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide (PubChem CID 87995485) has the molecular formula C7H10Cl3NO2 and a molecular weight of 246.52 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide
PubChem CID87995485
Molecular FormulaC7H10Cl3NO2
Molecular Weight246.52 g/mol
Exact Mass244.98
IUPAC Name2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide
SMILESC=COCCCNC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C7H10Cl3NO2/c1-2-13-5-3-4-11-6(12)7(8,9)10/h2H,1,3-5H2,(H,11,12)
InChIKeyNUIAQEJUSIZORQ-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.52
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethenoxypropyl)-2-(ethylamino)-2-methylpropanamide
CID 62837032
N-(3-ethenoxypropyl)-2-(methylamino)acetamide
CID 61274455
1-(3-ethenoxypropyl)-3-propan-2-ylurea
CID 59741503
3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide
CID 62726850
2,2,2-trichloro-N-(2-methoxyethyl)acetamide
CID 4248140
(2R)-2-amino-N-(3-ethenoxypropyl)propanamide
CID 78973332
5-(3-ethenoxypropylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62932848
1-amino-N-(3-ethenoxypropyl)cyclopropane-1-carboxamide
CID 65465567
2,2,2-trichloro-N-(5-hydroxypentyl)acetamide
CID 110839292
2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate
CID 2726052
2,2,2-trichloro-N-dodecylacetamide
CID 4986291
1-cyclohexyl-3-(3-ethenoxypropyl)urea
CID 103601350

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide (CID 87995485) is 2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide is C=COCCCNC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide?
The InChIKey is NUIAQEJUSIZORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl3NO2/c1-2-13-5-3-4-11-6(12)7(8,9)10/h2H,1,3-5H2,(H,11,12).
What are the key properties of 2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide?
2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide has a molecular weight of 246.52 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide is sourced from PubChem (CID 87995485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).