2,2,2-trichloro-N-dodecylacetamide

C14H26Cl3NO — CID 4986291

IUPAC2,2,2-trichloro-N-dodecylacetamide
SMILESCCCCCCCCCCCCNC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C14H26Cl3NO/c1-2-3-4-5-6-7-8-9-10-11-12-18-13(19)14(15,16)17/h2-12H2,1H3,(H,18,19)
InChIKeyUEBUNRBYKWMXEO-UHFFFAOYSA-N
MW330.73 g/mol
LogP5.39
Rot. Bonds11

About 2,2,2-trichloro-N-dodecylacetamide

2,2,2-trichloro-N-dodecylacetamide (PubChem CID 4986291) has the molecular formula C14H26Cl3NO and a molecular weight of 330.73 g/mol. Its IUPAC name is 2,2,2-trichloro-N-dodecylacetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-dodecylacetamide
PubChem CID4986291
Molecular FormulaC14H26Cl3NO
Molecular Weight330.73 g/mol
Exact Mass329.11
IUPAC Name2,2,2-trichloro-N-dodecylacetamide
SMILESCCCCCCCCCCCCNC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C14H26Cl3NO/c1-2-3-4-5-6-7-8-9-10-11-12-18-13(19)14(15,16)17/h2-12H2,1H3,(H,18,19)
InChIKeyUEBUNRBYKWMXEO-UHFFFAOYSA-N
XLogP5.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.73
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-pentylpropanamide
CID 12827689
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
2,2,2-trichloro-N-(5-hydroxypentyl)acetamide
CID 110839292
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
9-chloro-N-dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 3616620
11-chloro-N-decyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide
CID 4106217
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-undecylnonanamide
CID 3948802
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-hexylnonanamide
CID 3090456
2,2,3,3,4,4,5,5-octafluoro-N,N'-dioctylhexanediamide
CID 4134116
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256
2-amino-2-ethyl-N-hexylbutanamide
CID 79810029

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-dodecylacetamide?
The IUPAC name of 2,2,2-trichloro-N-dodecylacetamide (CID 4986291) is 2,2,2-trichloro-N-dodecylacetamide.
What is the SMILES notation for 2,2,2-trichloro-N-dodecylacetamide?
The canonical SMILES for 2,2,2-trichloro-N-dodecylacetamide is CCCCCCCCCCCCNC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-dodecylacetamide?
The InChIKey is UEBUNRBYKWMXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26Cl3NO/c1-2-3-4-5-6-7-8-9-10-11-12-18-13(19)14(15,16)17/h2-12H2,1H3,(H,18,19).
What are the key properties of 2,2,2-trichloro-N-dodecylacetamide?
2,2,2-trichloro-N-dodecylacetamide has a molecular weight of 330.73 g/mol, XLogP of 5.39, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-dodecylacetamide is sourced from PubChem (CID 4986291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).